2,4-dichloro-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine hydrochloride

2,4-dichloro-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine hydrochloride

CAS: 1187830-76-7

Formula: C7H8Cl3N3

SMILES: Cl.ClC1=NC2=C(CCNC2)C(Cl)=N1

IUPAC: 2,4-dichloro-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine hydrochloride

InChI: InChI=1S/C7H7Cl2N3.ClH/c8-6-4-1-2-10-3-5(4)11-7(9)12-6;/h10H,1-3H2;1H

Composition: C (34.96%), H (3.35%), Cl (44.22%), N (17.47%)

Molar Mass: 240.51

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	238.9783804
Formal Charge	0
FSP3	0.43
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	WKHCVPUVLRBFNT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.12
Topological Polar Surface Area	37.81
Polarizability	18.8
Ring Count	2
Rotatable Bond Count	0

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