7-Azaindole-4-carboxylic Acid - CAS 479553-01-0

Catalog:	BB026440
Product Name:	7-Azaindole-4-carboxylic Acid
CAS:	479553-01-0
Synonyms:	1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid; 1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid
Description:	7-Azaindole-4-carboxylic Acid (CAS# 479553-01-0) is a useful research chemical.
Molecular Weight:	162.15
Molecular Formula:	C8H6N2O2
Canonical SMILES:	C1=CNC2=NC=CC(=C21)C(=O)O
InChI:	InChI=1S/C8H6N2O2/c11-8(12)6-2-4-10-7-5(6)1-3-9-7/h1-4H,(H,9,10)(H,11,12)
InChI Key:	HPPPHDPVSYYWCH-UHFFFAOYSA-N
Density:	1.507 g/cm³
Appearance:	Solid
MDL:	MFCD08272236
LogP:	1.26110

Publication Number	Title	Priority Date
CN-112047928-A	Isonicotinamide AChE-GSK3 double inhibitor and preparation method and application thereof	20200914
WO-2021126973-A1	Compounds modulating protein recruitment and/or degradation	20191217
WO-2021012049-A1	Substituted 2-morpholinopyridine derivatives as atr kinase inhibitors	20190722
WO-2020087170-A1	Compounds, pharmaceutical compositions, and methods of preparing compounds and of their use as atr kinase inhibitors	20181030
EP-3873905-A1	Compounds, pharmaceutical compositions, and methods of preparing compounds and of their use as atr kinase inhibitors	20181030

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Related Functional Groups

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GHS Hazard Statement:	H319 (97.62%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P280, P305+P351+P338, and P337+P313
Signal Word:	Warning

Complexity:	196
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	162.042927438
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	162.042927438
Rotatable Bond Count:	1
Topological Polar Surface Area:	66 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8