Ethyl 2-Chloro-5-fluoronicotinate - CAS 139911-30-1

Catalog:	BB009000
Product Name:	Ethyl 2-Chloro-5-fluoronicotinate
CAS:	139911-30-1
Synonyms:	2-chloro-5-fluoro-3-pyridinecarboxylic acid ethyl ester; ethyl 2-chloro-5-fluoropyridine-3-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 2-chloro-5-fluoropyridine-3-carboxylate
Description:	Ethyl 2-Chloro-5-fluoronicotinate (CAS# 139911-30-1) is a useful research chemical.
Molecular Weight:	203.60
Molecular Formula:	C8H7ClFNO2
Canonical SMILES:	CCOC(=O)C1=CC(=CN=C1Cl)F
InChI:	InChI=1S/C8H7ClFNO2/c1-2-13-8(12)6-3-5(10)4-11-7(6)9/h3-4H,2H2,1H3
InChI Key:	ZCQJBYHGMYTQAO-UHFFFAOYSA-N
Boiling Point:	252.7 °C at 760 mmHg
Density:	1.328 g/cm³
MDL:	MFCD05662395
LogP:	2.05080

Publication Number	Title	Priority Date
JP-2017536417-A	Substituted oxazole and thiazole carboxamide and urea derivatives as vanilloid receptor ligand II	20141124
JP-6422589-B2	Substituted oxazole and thiazole carboxamide and urea derivatives as vanilloid receptor ligand II	20141124
AU-2013326429-A1	N-prop-2-ynyl carboxamide derivatives and their use as trpa1 antagonists	20121001
AU-2013326429-B2	N-prop-2-ynyl carboxamide derivatives and their use as TRPA1 antagonists	20121001
CA-2884922-A1	N-prop-2-ynyl carboxamide derivatives and their use as trpa1 antagonists	20121001

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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
[17746-05-3]
Undecanoyl chloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

Complexity:	191
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	203.0149343
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	203.0149343
Rotatable Bond Count:	3
Topological Polar Surface Area:	39.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1