2,4-dichloro-6-methylpyrimidine-5-carbonitrile

2,4-dichloro-6-methylpyrimidine-5-carbonitrile

CAS: 56035-64-4

Formula: C6H3Cl2N3

SMILES: CC1=NC(Cl)=NC(Cl)=C1C#N

IUPAC: 2,4-dichloro-6-methylpyrimidine-5-carbonitrile

InChI: InChI=1S/C6H3Cl2N3/c1-3-4(2-9)5(7)11-6(8)10-3/h1H3

Composition: C (38.33%), H (1.61%), Cl (37.71%), N (22.35%)

Molar Mass: 188.01

Atom Count: 14

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	186.9704025
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	YQBPLKJZELWYDH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.4
Topological Polar Surface Area	49.57
Polarizability	16.23
Ring Count	1
Rotatable Bond Count	0

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