2-Chloro-5-(difluoromethyl)pyridine - CAS 71701-99-0

Catalog:	BB034460
Product Name:	2-Chloro-5-(difluoromethyl)pyridine
CAS:	71701-99-0
Synonyms:	2-chloro-5-(difluoromethyl)pyridine

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	2-chloro-5-(difluoromethyl)pyridine
Description:	2-Chloro-5-(difluoromethyl)pyridine (CAS# 71701-99-0) is a useful research chemical for the preparation of piperazine derivatives as MC4 receptor agonists.
Molecular Weight:	163.55
Molecular Formula:	C6H4ClF2N
Canonical SMILES:	C1=CC(=NC=C1C(F)F)Cl
InChI:	InChI=1S/C6H4ClF2N/c7-5-2-1-4(3-10-5)6(8)9/h1-3,6H
InChI Key:	OSQYJPKSEWBNOE-UHFFFAOYSA-N
Appearance:	Colorless to yellow liquid
MDL:	MFCD16140199
LogP:	2.67260

Publication Number	Title	Priority Date
WO-2020061150-A1	O-glycoprotein-2-acetamido-2-deoxy-3-d-glucopyranosidase inhibitors	20180919
TW-202031651-A	O-glycoprotein-2-acetamido-2-deoxy-3-d-glucopyranosidase inhibitors	20180919
CN-113166137-A	O-glycoprotein-2-acetamido-2-deoxy-3-D-glucopyranosidase inhibitors	20180919
EP-3853226-A1	O-glycoprotein-2-acetamido-2-deoxy-3-d-glucopyranosidase inhibitors	20180919
KR-20210060513-A	O-glycoprotein-2-acetamido-2-deoxy-3-D-glucopyranosidase inhibitor	20180919

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GHS Hazard Statement:	H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P280, P305+P351+P338, and P337+P313
Signal Word:	Warning

Complexity:	110
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	163.0000331
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	163.0000331
Rotatable Bond Count:	1
Topological Polar Surface Area:	12.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4