CAS 6200-60-8|imidazo[1,2-a]pyridine-3-carboxylic acid|imidazo[1,2-a]pyridine-3-carboxylic acid|Imidazo[1,2-a]pyridine-3-carboxylic acid 97%|3-Carboxyimidazo[1,2-a]pyridine|imidazo[1,2-a]pyridine-3-...

General Information

Structure

Molecular Formula

C₈H₆N₂O₂

Molecular Mass

162.14544

Exact Mass

162.04292744

Charge

InChI

InChI=1S/C8H6N2O2/c11-8(12)6-5-9-7-3-1-2-4-10(6)7/h1-5H,(H,11,12)

InChIKey

DOGXPDFZEQXZDS-UHFFFAOYSA-N

Canonic Smiles

OC(=O)c1cnc2n1cccc2

Isomeric Smiles

n1c2n(c(c1)C(=O)O)cccc2

Calculated Properties

JChem

Acid pKa

2.679606

H Acceptors

H Donor

LogD (pH = 5.5)

-1.2867094

LogD (pH = 7.4)

-2.789841

Log P

-0.8533081

Molar Refractivity

43.0701

Polarizability

15.660921

Polar Surface Area

54.6

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

imidazo[1,2-a]pyridine-3-carboxylic acid

Synonyms

3-Carboxyimidazo[1,2-a]pyridineImidazo[1,2-a]pyridine-3-carboxylic acid 97%imidazo[1,2-a]pyridine-3-carboxylic acid

IUPAC name

imidazo[1,2-a]pyridine-3-carboxylic acid

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem SID

PubChem CID

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

• Synonyms

• IUPAC name

Registration numbers

• CAS Number

• MDL Number

• PubChem SID

• PubChem CID

Properties

• Physical Property

• Safety Information

• Product Information

• PubChem Literature

• From Data Sources

Bioactivity

• PubChem BioAssay

Molecule

ID:92883