2-Chloro-4-(3-pyridyl)pyrimidine - CAS 483324-01-2

Catalog:	BB026522
Product Name:	2-Chloro-4-(3-pyridyl)pyrimidine
CAS:	483324-01-2
Synonyms:	2-chloro-4-(3-pyridinyl)pyrimidine; 2-chloro-4-pyridin-3-ylpyrimidine

Technical Data

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Computed Properties

IUPAC Name:	2-chloro-4-pyridin-3-ylpyrimidine
Description:	2-Chloro-4-(3-pyridyl)pyrimidine (CAS# 483324-01-2) is a useful research chemical.
Molecular Weight:	191.62
Molecular Formula:	C9H6ClN3
Canonical SMILES:	C1=CC(=CN=C1)C2=NC(=NC=C2)Cl
InChI:	InChI=1S/C9H6ClN3/c10-9-12-5-3-8(13-9)7-2-1-4-11-6-7/h1-6H
InChI Key:	MGQROXOMFRGAOY-UHFFFAOYSA-N
Boiling Point:	399.5 °C at 760 mmHg
Density:	1.309 g/cm³
LogP:	2.19200

Publication Number	Title	Priority Date
CN-112125882-A	Method for synthesizing imatinib free base	20201012
WO-2021074138-A1	Synthesis of 6-methyl-n1-(4-(pyridin-3-yl)pyrimidin-2-yl)benzene-1,3-diamine	20191014
CN-110041310-A	A kind of preparation method and application of Imatinib derivative	20181120
CN-110041310-B	Preparation method and application of imatinib derivative	20181120
CN-107089969-B	Method for synthesizing imatinib intermediate	20170426

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	165
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	191.0250249
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	191.0250249
Rotatable Bond Count:	1
Topological Polar Surface Area:	38.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8