Methyl 2-Amino-5-chloronicotinate - CAS 50735-33-6

Catalog:	BB027198
Product Name:	Methyl 2-Amino-5-chloronicotinate
CAS:	50735-33-6
Synonyms:	2-amino-5-chloro-3-pyridinecarboxylic acid methyl ester; methyl 2-amino-5-chloropyridine-3-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 2-amino-5-chloropyridine-3-carboxylate
Description:	Methyl 2-Amino-5-chloronicotinate (CAS# 50735-33-6) is a useful research chemical.
Molecular Weight:	186.60
Molecular Formula:	C7H7ClN2O2
Canonical SMILES:	COC(=O)C1=CC(=CN=C1N)Cl
InChI:	InChI=1S/C7H7ClN2O2/c1-12-7(11)5-2-4(8)3-10-6(5)9/h2-3H,1H3,(H2,9,10)
InChI Key:	PEYKGXOKTQNWCI-UHFFFAOYSA-N
Appearance:	Off-white to yellow powder
MDL:	MFCD09031678
LogP:	1.68500

Publication Number	Title	Priority Date
WO-2021178488-A1	Eif4e inhibitors and uses thereof	20200303
WO-2021032934-A1	Enzyme inhibitors	20190821
JP-2020180059-A	Vasopressin receptor antagonist	20190424
JP-2021014406-A	Vasopressin receptor antagonist	20171025
WO-2017192304-A1	Arylcarboxamides and uses thereof	20160502

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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
[17746-05-3]
Undecanoyl chloride
[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
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	177
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	186.0196052
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	186.0196052
Rotatable Bond Count:	2
Topological Polar Surface Area:	65.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5