2-Fluoro-4-methylpyridine - CAS 461-87-0

Catalog:	BB026091
Product Name:	2-Fluoro-4-methylpyridine
CAS:	461-87-0
Synonyms:	2-fluoro-4-methylpyridine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-fluoro-4-methylpyridine
Description:	2-Fluoro-4-methylpyridine (CAS# 461-87-0) is suitable for dihydroorotate dehydrogenase (DHODH) related research.
Molecular Weight:	111.12
Molecular Formula:	C6H6FN
Canonical SMILES:	CC1=CC(=NC=C1)F
InChI:	InChI=1S/C6H6FN/c1-5-2-3-8-6(7)4-5/h2-4H,1H3
InChI Key:	ZBFAXMKJADVOGH-UHFFFAOYSA-N
Boiling Point:	160-161 °C
Purity:	> 98.0 % (GC)
Density:	1.078 g/cm³
Appearance:	Clear colourless to light yellow liquid
Storage:	Room temperature.
MDL:	MFCD00041224
LogP:	1.52910

Publication Number	Title	Priority Date
WO-2021202781-A1	N-heteroarylalkyl-2-(heterocyclyl and heterocyclylmethyl) acetamide derivatives as sstr4 agonists	20200331
CN-111285799-A	2H- [1,2â€²-bipyridine]Synthesis method of (E) -2-ketone compound	20200318
WO-2021113263-A1	Crf receptor antagonists and methods of use	20191204
WO-2021110574-A1	Alkynyl-(heteroaryl)-carboxamide hcn1 inhibitors	20191202
WO-2021101854-A1	Compounds and methods of preparing compounds s1p1 modulators	20191119

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GHS Hazard Statement:	H226 (16.33%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Warning

Complexity:	74.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	111.048427358
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	111.048427358
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3