Methyl 6-fluoropyridine-2-carboxylate - CAS 455-71-0

Catalog:	BB025932
Product Name:	Methyl 6-fluoropyridine-2-carboxylate
CAS:	455-71-0
Synonyms:	methyl 6-fluoropyridine-2-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 6-fluoropyridine-2-carboxylate
Description:	Methyl 6-fluoropyridine-2-carboxylate (CAS# 455-71-0) is a useful research chemical.
Molecular Weight:	155.13
Molecular Formula:	C7H6FNO2
Canonical SMILES:	COC(=O)C1=NC(=CC=C1)F
InChI:	InChI=1S/C7H6FNO2/c1-11-7(10)5-3-2-4-6(8)9-5/h2-4H,1H3
InChI Key:	NMRCOWOPRPIBPQ-UHFFFAOYSA-N
Boiling Point:	246 °C at 760 mmHg
Density:	1.243 g/cm³
LogP:	1.00730

Publication Number	Title	Priority Date
WO-2021170109-A1	Tropomyosin receptor kinase (trk) degradation compounds and methods of use	20200226
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
WO-2021109712-A1	Compounds for modulating activity of fxr and uses thereof	20191203

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	155.03825660
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	155.03825660
Rotatable Bond Count:	2
Topological Polar Surface Area:	39.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5