methyl 4-chloro-1H-pyrrole-2-carboxylate - CAS 1194-96-3

Catalog:	BB004512
Product Name:	methyl 4-chloro-1H-pyrrole-2-carboxylate
CAS:	1194-96-3
Synonyms:	4-chloro-1H-pyrrole-2-carboxylic acid methyl ester; methyl 4-chloro-1H-pyrrole-2-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 4-chloro-1H-pyrrole-2-carboxylate
Description:	methyl 4-chloro-1H-pyrrole-2-carboxylate (CAS# 1194-96-3) is a useful research chemical.
Molecular Weight:	159.569
Molecular Formula:	C6H6ClNO2
Canonical SMILES:	COC(=O)C1=CC(=CN1)Cl
InChI:	InChI=1S/C6H6ClNO2/c1-10-6(9)5-2-4(7)3-8-5/h2-3,8H,1H3
InChI Key:	LHGVCFRRQZZMCK-UHFFFAOYSA-N
MDL:	MFCD11176523
LogP:	1.45470

Publication Number	Title	Priority Date
WO-2019011217-A1	Pyrrole [1,2-b]pyridazines or pharmaceutically acceptable salts thereof and uses thereof	20170710
AU-2018265615-A1	Substituted heterocyclic compounds as allosteric modulators of group II metabotropic glutamate receptors	20170512
CN-110769830-A	Substituted heterocyclic compounds as allosteric modulators of group II metabotropic glutamate receptors	20170512
EP-3621620-A1	Substituted heterocyclic compounds as allosteric modulators of group ii metabotropic glutamate receptors	20170512
KR-20200035234-A	Substituted heterocyclic compounds as allosteric modulators of Group II metabolic glutamate receptors	20170512

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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
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[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
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

Pyrroles

[1551432-13-3]
3,6-Bis(2,4-dimethyl-1-pyrrolyl)-1,2,4,5-tetrazine
[78540-03-1]
1-phenyl-1H-pyrrole-2-carboxylic acid
[1227461-24-6]
tert-Butyl 3-amino-4-cyano-2,5-dihydro-1H-pyrrole-1-carboxylate
[1263208-95-2]
Ethyl 3-methyl-4-(thiophene-2-carbonyl)-1H-pyrrole-2-carboxylate
[1175521-35-3]
Farinomalein
[134272-63-2]
N-Boc-2-maleimidoethylamine

Complexity:	140
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	159.0087061
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	159.0087061
Rotatable Bond Count:	2
Topological Polar Surface Area:	42.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5