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

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

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
[31894-56-1]
Ethyl 5-methyl-3-(thiophen-2-yl)-1H-pyrrole-2-carboxylate
[1175521-35-3]
Farinomalein

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