ethyl 3,5-dichloro-4-cyanopyridine-2-carboxylate

ethyl 3,5-dichloro-4-cyanopyridine-2-carboxylate

CAS: 1296172-36-5

Formula: C9H6Cl2N2O2

SMILES: CCOC(=O)C1=NC=C(Cl)C(C#N)=C1Cl

IUPAC: ethyl 3,5-dichloro-4-cyanopyridine-2-carboxylate

InChI: InChI=1S/C9H6Cl2N2O2/c1-2-15-9(14)8-7(11)5(3-12)6(10)4-13-8/h4H,2H2,1H3

Composition: C (44.11%), H (2.47%), Cl (28.93%), N (11.43%), O (13.06%)

Molar Mass: 245.06

Atom Count: 21

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	243.9806328
Formal Charge	0
FSP3	0.22
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	QCDKAYLLFNQOQY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.63
Topological Polar Surface Area	62.98
Polarizability	21.53
Ring Count	1
Rotatable Bond Count	3

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