ethyl 2,6-dichloropyridine-4-carboxylate

ethyl 2,6-dichloropyridine-4-carboxylate

CAS: 1604-14-4

Formula: C8H7Cl2NO2

SMILES: CCOC(=O)C1=CC(Cl)=NC(Cl)=C1

IUPAC: ethyl 2,6-dichloropyridine-4-carboxylate

InChI: InChI=1S/C8H7Cl2NO2/c1-2-13-8(12)5-3-6(9)11-7(10)4-5/h3-4H,2H2,1H3

Composition: C (43.67%), H (3.21%), Cl (32.22%), N (6.37%), O (14.54%)

Molar Mass: 220.05

Atom Count: 20

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	218.9853839
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	PVPBMYSZXFNZOM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.41
Topological Polar Surface Area	39.19
Polarizability	19.69
Ring Count	1
Rotatable Bond Count	3

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