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4,6-Dichloropyrido[3,4-d]pyrimidine

4,6-Dichloropyrido[3,4-d]pyrimidine - CAS 171178-48-6

Catalog:	BB012724
Product Name:	4,6-Dichloropyrido[3,4-d]pyrimidine
CAS:	171178-48-6
Synonyms:	4,6-dichloropyrido[3,4-d]pyrimidine; 4,6-dichloropyrido[3,4-d]pyrimidine

Technical Data

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Computed Properties

IUPAC Name:	4,6-dichloropyrido[3,4-d]pyrimidine
Description:	4,6-Dichloropyrido[3,4-d]pyrimidine (CAS# 171178-48-6) is a useful research chemical.
Molecular Weight:	200.02
Molecular Formula:	C7H3Cl2N3
Canonical SMILES:	C1=C2C(=CN=C1Cl)N=CN=C2Cl
InChI:	InChI=1S/C7H3Cl2N3/c8-6-1-4-5(2-10-6)11-3-12-7(4)9/h1-3H
InChI Key:	CKPNVNAKQGYUSK-UHFFFAOYSA-N
Boiling Point:	340.821 °C at 760 mmHg
Density:	1.573 g/cm³
LogP:	2.33160

Publication Number	Title	Priority Date
WO-2020239999-A1	SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE	20190531
US-2021300918-A1	SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE	20190531
US-2020354343-A1	Heterocyclic inhibitors of tyrosine kinase	20190425
WO-2020219904-A1	Heterocyclic inhibitors of tyrosine kinase	20190425
WO-2019148036-A1	Compounds for the treatment of kinase-dependent disorders	20180126

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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+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	167
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	198.9704025
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	198.9704025
Rotatable Bond Count:	0
Topological Polar Surface Area:	38.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4