ethyl 4-chloropyridine-3-carboxylate hydrochloride

ethyl 4-chloropyridine-3-carboxylate hydrochloride

CAS: 174496-99-2

Formula: C8H9Cl2NO2

SMILES: Cl.CCOC(=O)C1=CN=CC=C1Cl

IUPAC: ethyl 4-chloropyridine-3-carboxylate hydrochloride

InChI: InChI=1S/C8H8ClNO2.ClH/c1-2-12-8(11)6-5-10-4-3-7(6)9;/h3-5H,2H2,1H3;1H

Composition: C (43.27%), H (4.09%), Cl (31.93%), N (6.31%), O (14.41%)

Molar Mass: 222.07

Atom Count: 22

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	221.0010339
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	LPFBXCWCEZYZOO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.48
Topological Polar Surface Area	39.19
Polarizability	17.64
Ring Count	1
Rotatable Bond Count	3

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