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

Methyl 1H-Pyrrolo[2,3-b]pyridine-3-carboxylate - CAS 808137-94-2

Catalog:	BB036555
Product Name:	Methyl 1H-Pyrrolo[2,3-b]pyridine-3-carboxylate
CAS:	808137-94-2
Synonyms:	1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid methyl ester; methyl 1H-pyrrolo[2,3-b]pyridine-3-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 1H-pyrrolo[2,3-b]pyridine-3-carboxylate
Description:	Methyl 1H-Pyrrolo[2,3-b]pyridine-3-carboxylate (CAS# 808137-94-2) is a useful research chemical.
Molecular Weight:	176.17
Molecular Formula:	C9H8N2O2
Canonical SMILES:	COC(=O)C1=CNC2=C1C=CC=N2
InChI:	InChI=1S/C9H8N2O2/c1-13-9(12)7-5-11-8-6(7)3-2-4-10-8/h2-5H,1H3,(H,10,11)
InChI Key:	XYRUNIAHPKBUJT-UHFFFAOYSA-N
Density:	1.324 g/cm³
MDL:	MFCD09864656
LogP:	1.34950

Publication Number	Title	Priority Date
AU-2017376817-A1	Heparanase inhibitors and use thereof	20161213
CA-3046997-A1	Heparanase inhibitors and use thereof	20161213
EP-3554505-A1	Methods of treating ocular disorders	20161213
EP-3555051-A1	Heparanase inhibitors and use thereof	20161213
JP-2020503377-A	Heparanase inhibitors and uses thereof	20161213

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Related Functional Groups

Carbonyl Compounds

[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
[1427004-19-0]
DBCO-PEG4-NHS ester
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea

GHS Hazard Statement:	H302 (16.67%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2