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5-Chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic Acid

5-Chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic Acid - CAS 800401-84-7

Catalog:	BB036456
Product Name:	5-Chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic Acid
CAS:	800401-84-7
Synonyms:	5-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid; 5-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid

Technical Data

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Patents

Computed Properties

IUPAC Name:	5-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
Description:	5-Chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic Acid (CAS# 800401-84-7) is a useful research chemical.
Molecular Weight:	196.59
Molecular Formula:	C8H5ClN2O2
Canonical SMILES:	C1=C2C=C(NC2=NC=C1Cl)C(=O)O
InChI:	InChI=1S/C8H5ClN2O2/c9-5-1-4-2-6(8(12)13)11-7(4)10-3-5/h1-3H,(H,10,11)(H,12,13)
InChI Key:	YMSGAOPCRLRFMT-UHFFFAOYSA-N
Density:	1.644 g/cm³
MDL:	MFCD09878689
LogP:	1.91450

Publication Number	Title	Priority Date
EP-1819332-A2	Pyrrolopyridine-2-carboxylic acid amides	20041202
EP-1819332-B1	Pyrrolopyridine-2-carboxylic acid amides	20041202
ES-2324173-T3	AMIDAS OF THE ACID PIRROLOPIRIDIN-2-CARBOXILICO.	20041202
JP-2008521873-A	Pyrrolopyridine-2-carboxylic acid amides	20041202
US-2009099176-A1	Pyrrolopyridine-2-carboxylic acid amides	20041202

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word:	Warning

Complexity:	224
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.0039551
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	196.0039551
Rotatable Bond Count:	1
Topological Polar Surface Area:	66 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8