5-Fluoro-2-methylpyridine - CAS 31181-53-0

Catalog:	BB020822
Product Name:	5-Fluoro-2-methylpyridine
CAS:	31181-53-0
Synonyms:	5-fluoro-2-methylpyridine; 5-fluoro-2-methylpyridine

Technical Data

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Computed Properties

IUPAC Name:	5-fluoro-2-methylpyridine
Description:	5-Fluoro-2-methylpyridine (CAS# 31181-53-0) is a useful research chemical compound.
Molecular Weight:	111.12
Molecular Formula:	C6H6FN
Canonical SMILES:	CC1=NC=C(C=C1)F
InChI:	InChI=1S/C6H6FN/c1-5-2-3-6(7)4-8-5/h2-4H,1H3
InChI Key:	LXAHHHIGZXPRKQ-UHFFFAOYSA-N
Boiling Point:	114.7 °C at 760 mmHg
Density:	1.077 g/cm³
Appearance:	Liquid
MDL:	MFCD03095271
LogP:	1.52910

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, 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