Methyl 5-Bromo-1H-indazole-7-carboxylate - CAS 898747-24-5

Catalog:	BB039657
Product Name:	Methyl 5-Bromo-1H-indazole-7-carboxylate
CAS:	898747-24-5
Synonyms:	5-bromo-1H-indazole-7-carboxylic acid methyl ester; methyl 5-bromo-1H-indazole-7-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 5-bromo-1H-indazole-7-carboxylate
Description:	Methyl 5-Bromo-1H-indazole-7-carboxylate (CAS# 898747-24-5) is a useful research chemical.
Molecular Weight:	255.07
Molecular Formula:	C9H7BrN2O2
Canonical SMILES:	COC(=O)C1=C2C(=CC(=C1)Br)C=NN2
InChI:	InChI=1S/C9H7BrN2O2/c1-14-9(13)7-3-6(10)2-5-4-11-12-8(5)7/h2-4H,1H3,(H,11,12)
InChI Key:	QQXHHJBRURQNLO-UHFFFAOYSA-N
MDL:	MFCD08458991
LogP:	2.11200

Publication Number	Title	Priority Date
US-2019315712-A1	Bicyclic carboxamides and methods of use thereof	20180417
WO-2019204523-A1	Bicyclic carboxamides and methods of use thereof	20180417
AU-2019255717-A1	Bicyclic carboxamides and methods of use thereof	20180417
BR-112020021042-A2	BICYCLIC CARBOXAMIDES AND METHODS OF USE OF THE SAME	20180417
CN-112313208-A	Bicyclic carboxamides and methods of use thereof	20180417

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Related Functional Groups

Carbonyl Compounds

[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride

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:	237
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	253.96909
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	253.96909
Rotatable Bond Count:	2
Topological Polar Surface Area:	55 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1