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
CN-113061132-A	Condensed ring lactam compound, preparation method and application	20200101
WO-2021097207-A1	Improved synthesis of kras g12c inhibitor compound	20191114
CN-112830893-A	ROR gamma inhibitor, preparation method and medical application thereof	20191028

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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