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Methyl 1H-Pyrrolo[3,2-b]pyridine-2-carboxylate

Methyl 1H-Pyrrolo[3,2-b]pyridine-2-carboxylate - CAS 394223-19-9

Catalog:	BB023972
Product Name:	Methyl 1H-Pyrrolo[3,2-b]pyridine-2-carboxylate
CAS:	394223-19-9
Synonyms:	1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid methyl ester; methyl 1H-pyrrolo[3,2-b]pyridine-2-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 1H-pyrrolo[3,2-b]pyridine-2-carboxylate
Description:	Methyl 1H-Pyrrolo[3,2-b]pyridine-2-carboxylate (CAS# 394223-19-9 ) is a useful research chemical.
Molecular Weight:	176.17
Molecular Formula:	C9H8N2O2
Canonical SMILES:	COC(=O)C1=CC2=C(N1)C=CC=N2
InChI:	InChI=1S/C9H8N2O2/c1-13-9(12)8-5-7-6(11-8)3-2-4-10-7/h2-5,11H,1H3
InChI Key:	BXBHZLHTTHMUTG-UHFFFAOYSA-N
Boiling Point:	347.469 °C at 760 mmHg
Density:	1.325 g/cm³
Appearance:	Yellow powder
LogP:	1.34950

Publication Number	Title	Priority Date
TW-201819380-A	Fused tetracyclic pyridone compound as an antiviral agent	20161018
WO-2018073753-A1	Fused tetracyclic pyridone compounds as antivirals	20161018
JP-2019520398-A	Spirolactams as ROCK inhibitors	20160707
KR-20190025682-A	Spirolactam as an inhibitor of ROCK	20160707
US-10696674-B2	Spirolactams as inhibitors of ROCK	20160707

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Related Functional Groups

Carbonyl Compounds

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[17746-05-3]
Undecanoyl chloride
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(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1035840-45-9]
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[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

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Complexity:	208
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	176.058577502
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	176.058577502
Rotatable Bond Count:	2
Topological Polar Surface Area:	55
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3