CAS 65326-33-2|1-(2-aminopyridin-3-yl)ethan-1-one|1-(2-aminopyridin-3-yl)ethanone|1-(2-Amino-3-pyridinyl)-1-ethanone|1-(2-Aminopyridin-3-yl)ethan-1-one|3-Acetyl-2-aminopyridine|2-AMINO-3-ACETYLPYRID...

General Information

Structure

Molecular Formula

C₇H₈N₂O

Molecular Mass

136.15122

Exact Mass

136.06366289

Charge

InChI

InChI=1S/C7H8N2O/c1-5(10)6-3-2-4-9-7(6)8/h2-4H,1H3,(H2,8,9)

InChIKey

BNVLGAQNNFJKHG-UHFFFAOYSA-N

Canonic Smiles

CC(=O)c1cccnc1N

Isomeric Smiles

c1(c(nccc1)N)C(=O)C

Calculated Properties

JChem

Acid pKa

15.7459545

H Acceptors

H Donor

LogD (pH = 5.5)

0.33810267

LogD (pH = 7.4)

0.72045565

Log P

0.7287525

Molar Refractivity

39.3178

Polarizability

14.309962

Polar Surface Area

55.98

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

1-(2-aminopyridin-3-yl)ethanone

IUPAC name

1-(2-aminopyridin-3-yl)ethan-1-one

Synonyms

1-(2-Amino-3-pyridinyl)-1-ethanone1-(2-Aminopyridin-3-yl)ethan-1-one3-Acetyl-2-aminopyridine2-AMINO-3-ACETYLPYRIDINE

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem CID

PubChem SID

Registration numbers

Properties

Related Proteins

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Molecular Spectra

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Molecule Details

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References

PubChem Literature

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References

Bioactivity

PubChem BioAssay

Bioactivity

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General Information

Calculated Properties

• RDKit

• JChem

Data Source

• Commercial Catalog

• Academic Data

Names and Identifiers

• IUPAC Traditional name

• IUPAC name

• Synonyms

Registration numbers

• MDL Number

• CAS Number

• PubChem CID

• PubChem SID

Properties

• Product Information

• Safety Information

• Physical Property

• PubChem Literature

• From Data Sources

Bioactivity

• PubChem BioAssay

Molecule

ID:43733