Methyl 2,6-Dichloro-5-fluoronicotinate - CAS 189281-66-1

Catalog:	BB014613
Product Name:	Methyl 2,6-Dichloro-5-fluoronicotinate
CAS:	189281-66-1
Synonyms:	2,6-dichloro-5-fluoro-3-pyridinecarboxylic acid methyl ester; methyl 2,6-dichloro-5-fluoropyridine-3-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 2,6-dichloro-5-fluoropyridine-3-carboxylate
Description:	Methyl 2,6-Dichloro-5-fluoronicotinate (CAS# 189281-66-1) is a useful research chemical.
Molecular Weight:	224.02
Molecular Formula:	C7H4Cl2FNO2
Canonical SMILES:	COC(=O)C1=CC(=C(N=C1Cl)Cl)F
InChI:	InChI=1S/C7H4Cl2FNO2/c1-13-7(12)3-2-4(10)6(9)11-5(3)8/h2H,1H3
InChI Key:	WADLLLSMEPLCNO-UHFFFAOYSA-N
Boiling Point:	269.9 °C at 760 mmHg
Density:	1.506 g/cm³
MDL:	MFCD02180634
LogP:	2.31410

Publication Number	Title	Priority Date
CN-112142735-A	Condensed cyanopyridine compound, preparation method and application	20200409
CN-112142735-B	Condensed cyanopyridine compound, preparation method and application	20200409
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WO-2021097207-A1	Improved synthesis of kras g12c inhibitor compound	20191114
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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
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

Complexity:	205
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	222.9603119
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	222.9603119
Rotatable Bond Count:	2
Topological Polar Surface Area:	39.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7