CAS 271-63-6|7-Azaindole|7-氮杂吲哚|1H-pyrrolo[2,3-b]pyridine|7-azaindole|7-Azaindole|1H-Pyrrolo[2,3-b]pyridine|1H-pyrrolo[2,3-b]pyridine|1H-吡咯并[2,3-b]吡啶|1H-Pyrrolo(2,3-b)pyridine| 7-Azaindole ...

General Information

Structure

Molecular Formula

C₇H₆N₂

Molecular Mass

118.13594

Exact Mass

118.0530982

Charge

InChI

InChI=1S/C7H6N2/c1-2-6-3-5-9-7(6)8-4-1/h1-5H,(H,8,9)

InChIKey

MVXVYAKCVDQRLW-UHFFFAOYSA-N

Canonic Smiles

c1cnc2c(c1)cc[nH]2

Isomeric Smiles

c1c[nH]c2c1cccn2

Calculated Properties

JChem

Acid pKa

15.662374

H Acceptors

H Donor

LogD (pH = 5.5)

1.1775688

LogD (pH = 7.4)

1.221206

Log P

1.2217975

Molar Refractivity

34.9402

Polarizability

13.9976425

Polar Surface Area

28.68

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

7-Azaindole7-氮杂吲哚1H-Pyrrolo[2,3-b]pyridine7-Azaindole1H-pyrrolo[2,3-b]pyridine1H-吡咯并[2,3-b]吡啶1H-Pyrrolo(2,3-b)pyridine 7-Azaindole 7-Aza-1-pyrindineNSC 670631,7-Diazaindene7H-Pyrrolo[2,3-b]pyridine7-Azaindole1,7-DideazapurineNSC 77951

IUPAC Traditional name

7-azaindole

IUPAC name

1H-pyrrolo[2,3-b]pyridine

Names and Identifiers

Registration numbers

EC Number

CAS Number

MDL Number

PubChem SID

Beilstein Number

PubChem CID

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

MP Biomedicals

02154804

(1H-Pyrrolo[2,3-b]pyridine) Crystalline

05208080

MP Biomedicals Rare Chemical collection

Sigma Aldrich

A95502

Application
A heterocyclic molecule that can be utilized as a pharmaceutical building block1
Starting material in a recent synthesis of azaserotonin.
Packaging
1, 5 g in glass bottle

TRC

A800275

Imidazolinone derivatives as CGRP receptor antagonists used in the treatment of migraine.

Molecule Details

References

PubChem Literature

From Data Sources

• Sikazwe, D., et al.: Bioorg. Med. Chem., 17, 1716 (2009)

• Stump, C., et al.: Bioorg. Med. Chem. Lett., 19, 214 (2009)

• Glycosylation at the pyrrole nitrogen has been carried out under phase-transfer conditions to give nucleoside analogues: Heterocycles, 29, 795 (1989).

• For a review of the chemistry of azaindoles, see: Russ. Chem. Rev., 49, 428 (1980).

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

Synonyms

IUPAC Traditional name

7-azaindole

IUPAC name

1H-pyrrolo[2,3-b]pyridine

Registration numbers

EC Number

CAS Number

MDL Number

PubChem SID

Beilstein Number

PubChem CID

Molecule Details

(1H-Pyrrolo[2,3-b]pyridine) Crystalline

05208080

MP Biomedicals Rare Chemical collection

Sigma Aldrich

A95502

Application
A heterocyclic molecule that can be utilized as a pharmaceutical building block1
Starting material in a recent synthesis of azaserotonin.
Packaging
1, 5 g in glass bottle

TRC

A800275

Imidazolinone derivatives as CGRP receptor antagonists used in the treatment of migraine.

References

PubChem Literature

From Data Sources

• Sikazwe, D., et al.: Bioorg. Med. Chem., 17, 1716 (2009)

• Stump, C., et al.: Bioorg. Med. Chem. Lett., 19, 214 (2009)

• Glycosylation at the pyrrole nitrogen has been carried out under phase-transfer conditions to give nucleoside analogues: Heterocycles, 29, 795 (1989).

• For a review of the chemistry of azaindoles, see: Russ. Chem. Rev., 49, 428 (1980).

Bioactivity

PubChem BioAssay

Properties

Molecule

ID:19148