2-Chloro-3-fluoro-5-methylpyridine - CAS 34552-15-3

Catalog:	BB022178
Product Name:	2-Chloro-3-fluoro-5-methylpyridine
CAS:	34552-15-3
Synonyms:	2-chloro-3-fluoro-5-methylpyridine; 2-chloro-3-fluoro-5-methylpyridine

Technical Data

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Computed Properties

IUPAC Name:	2-chloro-3-fluoro-5-methylpyridine
Description:	2-Chloro-3-fluoro-5-methylpyridine (CAS# 34552-15-3) is a useful research chemical.
Molecular Weight:	145.56
Molecular Formula:	C6H5ClFN
Canonical SMILES:	CC1=CC(=C(N=C1)Cl)F
InChI:	InChI=1S/C6H5ClFN/c1-4-2-5(8)6(7)9-3-4/h2-3H,1H3
InChI Key:	XZJURWKNRAGMCG-UHFFFAOYSA-N
Boiling Point:	184.2 °C at 760 mmHg
Density:	1.264 g/cm³
MDL:	MFCD06658238
LogP:	2.18250

Publication Number	Title	Priority Date
US-2021002292-A1	Modulators of the nmda receptor	20190703
US-2021047342-A1	Prodrugs of modulators of the nmda receptor	20190703
WO-2021001420-A1	Prodrugs of modulators of the nmda receptor	20190703
WO-2021001423-A1	Modulators of the nmda receptor	20190703
US-2020395556-A1	Organic electroluminescent materials and devices	20190614

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GHS Hazard Statement:	H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	99.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	145.0094550
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	145.0094550
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3