2-Chloro-5-fluoro-4-methylpyridine - CAS 881891-83-4

Catalog:	BB038776
Product Name:	2-Chloro-5-fluoro-4-methylpyridine
CAS:	881891-83-4
Synonyms:	2-chloro-5-fluoro-4-methylpyridine; 2-chloro-5-fluoro-4-methylpyridine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-chloro-5-fluoro-4-methylpyridine
Description:	2-Chloro-5-fluoro-4-methylpyridine (CAS# 881891-83-4) is a useful research chemical.
Molecular Weight:	145.56
Molecular Formula:	C6H5ClFN
Canonical SMILES:	CC1=CC(=NC=C1F)Cl
InChI:	InChI=1S/C6H5ClFN/c1-4-2-6(7)9-3-5(4)8/h2-3H,1H3
InChI Key:	HWDRAVIZSYVICK-UHFFFAOYSA-N
Boiling Point:	183 °C
Density:	1.264 g/cm³
MDL:	MFCD09864695
LogP:	2.18250

Publication Number	Title	Priority Date
WO-2021110574-A1	Alkynyl-(heteroaryl)-carboxamide hcn1 inhibitors	20191202
WO-2020117961-A1	Morpholinyl, piperazinyl, oxazepanyl and diazepanyl o-glycoprotein-2-acetamido-2-deoxy-3-d-glucopyranosidase inhibitors	20181205
TW-202039482-A	Morpholinyl, piperazinyl, oxazepanyl and diazepanyl o-glycoprotein-2-acetamido-2-deoxy-3-d-glucopyranosidase inhibitors	20181205
EP-3891146-A1	Morpholinyl, piperazinyl, oxazepanyl and diazepanyl o-glycoprotein-2-acetamido-2-deoxy-3-d-glucopyranosidase inhibitors	20181205
WO-2020061150-A1	O-glycoprotein-2-acetamido-2-deoxy-3-d-glucopyranosidase inhibitors	20180919

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	99.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	145.009455
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	145.009455
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3