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3H-Imidazo[4,5-b]pyridine-7-carboxylic Acid

3H-Imidazo[4,5-b]pyridine-7-carboxylic Acid - CAS 78316-08-2

Catalog:	BB036150
Product Name:	3H-Imidazo[4,5-b]pyridine-7-carboxylic Acid
CAS:	78316-08-2
Synonyms:	1H-imidazo[4,5-b]pyridine-7-carboxylic acid; 1H-imidazo[4,5-b]pyridine-7-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	1H-imidazo[4,5-b]pyridine-7-carboxylic acid
Description:	3H-Imidazo[4,5-b]pyridine-7-carboxylic Acid (CAS# 78316-08-2) is a useful research chemical.
Molecular Weight:	163.13
Molecular Formula:	C7H5N3O2
Canonical SMILES:	C1=CN=C2C(=C1C(=O)O)NC=N2
InChI:	InChI=1S/C7H5N3O2/c11-7(12)4-1-2-8-6-5(4)9-3-10-6/h1-3H,(H,11,12)(H,8,9,10)
InChI Key:	CEZJOKOKGRAPMR-UHFFFAOYSA-N
Boiling Point:	349 °C at 760 mmHg
Density:	1.68 g/cm³
Appearance:	Pale-yellow to yellow-brown solid
LogP:	0.65610

Publication Number	Title	Priority Date
WO-2021032148-A1	Aminopyrazine compounds as hpk1 inhibitor and the use thereof	20190821
AU-2018359413-A1	Kinase inhibitors for the treatment of central and peripheral nervous system disorders	20171031
WO-2019089729-A1	Kinase inhibitors for the treatment of central and peripheral nervous system disorders	20171031
EP-3704103-A1	Kinase inhibitors for the treatment of central and peripheral nervous system disorders	20171031
KR-20200080273-A	Kinase inhibitors for the treatment of central and peripheral nervous system disorders	20171031

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	197
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	163.038176411
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	163.038176411
Rotatable Bond Count:	1
Topological Polar Surface Area:	78.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3