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Methyl 4-Bromothieno[2,3-c]pyridine-2-carboxylate

Methyl 4-Bromothieno[2,3-c]pyridine-2-carboxylate - CAS 145325-40-2

Catalog:	BB009925
Product Name:	Methyl 4-Bromothieno[2,3-c]pyridine-2-carboxylate
CAS:	145325-40-2
Synonyms:	4-bromo-2-thieno[2,3-c]pyridinecarboxylic acid methyl ester; methyl 4-bromothieno[2,3-c]pyridine-2-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 4-bromothieno[2,3-c]pyridine-2-carboxylate
Description:	Methyl 4-Bromothieno[2,3-c]pyridine-2-carboxylate (CAS# 145325-40-2) is a useful research chemical.
Molecular Weight:	272.12
Molecular Formula:	C9H6BrNO2S
Canonical SMILES:	COC(=O)C1=CC2=C(C=NC=C2S1)Br
InChI:	InChI=1S/C9H6BrNO2S/c1-13-9(12)7-2-5-6(10)3-11-4-8(5)14-7/h2-4H,1H3
InChI Key:	REZMNBYKKVGMCD-UHFFFAOYSA-N
Boiling Point:	372.7 °C at 760 mmHg
Density:	1.697 g/cm³
LogP:	2.84540

Publication Number	Title	Priority Date
WO-2021083060-A1	Five-membered heterocyclic oxocarboxylic acid compound and medical use thereof	20191028
WO-2019106087-A1	Ampk inhibitors	20171129
AU-2017382185-A1	Pyrazole derivatives as MALT1 inhibitors	20161221
BR-112019012355-A2	pyrazole derivatives as malt1 inhibitors	20161221
EP-3558969-A1	Pyrazole derivatives as malt1 inhibitors	20161221

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1427004-19-0]
DBCO-PEG4-NHS ester
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[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+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	239
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	270.93026
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	270.93026
Rotatable Bond Count:	2
Topological Polar Surface Area:	67.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7