Methyl 3-Fluoropyridine-2-carboxylate - CAS 869108-35-0

Catalog:	BB038119
Product Name:	Methyl 3-Fluoropyridine-2-carboxylate
CAS:	869108-35-0
Synonyms:	3-fluoro-2-pyridinecarboxylic acid methyl ester; methyl 3-fluoropyridine-2-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 3-fluoropyridine-2-carboxylate
Description:	Methyl 3-Fluoropyridine-2-carboxylate (CAS# 869108-35-0) is a useful research chemical.
Molecular Weight:	155.13
Molecular Formula:	C7H6FNO2
Canonical SMILES:	COC(=O)C1=C(C=CC=N1)F
InChI:	InChI=1S/C7H6FNO2/c1-11-7(10)6-5(8)3-2-4-9-6/h2-4H,1H3
InChI Key:	CZBVTGOJEKVWBB-UHFFFAOYSA-N
Boiling Point:	228.8 °C at 760 mmHg
Density:	1.243 g/cm³
MDL:	MFCD06659496
LogP:	1.00730

Publication Number	Title	Priority Date
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CN-112891348-A	Use and pharmaceutical composition of phenyl isoxazolyl methylene-naphthalene-ether derivatives	20191203
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WO-2021108974-A1	Compounds for modulating activity of fxr and uses thereof	20191203
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Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride
[1016519-61-1]
2-(Methyl-2-pyridylamino)acetic Acid

Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	155.0382566
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	155.0382566
Rotatable Bond Count:	2
Topological Polar Surface Area:	39.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1