Methyl 2-chloro-5-methylnicotinate - CAS 65169-43-9

Catalog:	BB032646
Product Name:	Methyl 2-chloro-5-methylnicotinate
CAS:	65169-43-9
Synonyms:	methyl 2-chloro-5-methylpyridine-3-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	methyl 2-chloro-5-methylpyridine-3-carboxylate
Description:	Methyl 2-chloro-5-methylnicotinate (CAS# 65169-43-9) is a useful research chemical.
Molecular Weight:	185.61
Molecular Formula:	C8H8ClNO2
Canonical SMILES:	CC1=CN=C(C(=C1)C(=O)OC)Cl
InChI:	InChI=1S/C8H8ClNO2/c1-5-3-6(8(11)12-2)7(9)10-4-5/h3-4H,1-2H3
InChI Key:	FOKUGIKLNXFRTI-UHFFFAOYSA-N
MDL:	MFCD07375372
LogP:	1.83000

Publication Number	Title	Priority Date
CN-112574199-A	Heterocyclic compounds as Kras-G12C inhibitors	20200520
CN-112574199-B	Heterocyclic compounds as Kras-G12C inhibitors	20200520
WO-2021115286-A1	Six-membered and five-membered aromatic ring derivative containing nitrogen heteroatoms which can be used as shp2 inhibitor	20191210
US-2019367530-A1	Thienopyranones and Furanopyranones as Kinase, Bromodomain, and Checkpoint Inhibitors	20170127
AU-2015374155-A1	Novel calcium modulators	20141230

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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:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	185.0243562
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	185.0243562
Rotatable Bond Count:	2
Topological Polar Surface Area:	39.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2