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1H-Pyrrolo[2,3-b]pyridine-2-carboxylic Acid

1H-Pyrrolo[2,3-b]pyridine-2-carboxylic Acid - CAS 136818-50-3

Catalog:	BB008427
Product Name:	1H-Pyrrolo[2,3-b]pyridine-2-carboxylic Acid
CAS:	136818-50-3
Synonyms:	1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid; 1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid

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Computed Properties

IUPAC Name:	1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
Description:	1H-Pyrrolo[2,3-b]pyridine-2-carboxylic Acid (CAS# 136818-50-3) is a useful research chemical.
Molecular Weight:	162.15
Molecular Formula:	C8H6N2O2
Canonical SMILES:	C1=CC2=C(NC(=C2)C(=O)O)N=C1
InChI:	InChI=1S/C8H6N2O2/c11-8(12)6-4-5-2-1-3-9-7(5)10-6/h1-4H,(H,9,10)(H,11,12)
InChI Key:	DXMRZBGFYBCTLR-UHFFFAOYSA-N
Boiling Point:	446.822 °C at 760 mmHg
Density:	1.507 g/cm³
Appearance:	Solid
MDL:	MFCD06659752
LogP:	1.26110

Publication Number	Title	Priority Date
WO-2020210785-A1	D3 receptor agonist compounds; methods of preparation; intermediates thereof; and methods of use thereof	20190412
AU-2018388406-A1	Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors	20171222
CN-112088157-A	Aryl-bipyridine amine derivatives as phosphoinositide kinase inhibitors	20171222
EP-3728230-A1	Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors	20171222
US-2020331913-A1	Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors	20171222

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Related Functional Groups

Carbonyl Compounds

[55441-25-3]
1-(2-Cyanophenyl)urea
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
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:	1.2