ethyl 6-(chloromethyl)pyridine-2-carboxylate

ethyl 6-(chloromethyl)pyridine-2-carboxylate

CAS: 49668-99-7

Formula: C9H10ClNO2

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

IUPAC: ethyl 6-(chloromethyl)pyridine-2-carboxylate

InChI: InChI=1S/C9H10ClNO2/c1-2-13-9(12)8-5-3-4-7(6-10)11-8/h3-5H,2,6H2,1H3

Composition: C (54.15%), H (5.05%), Cl (17.76%), N (7.02%), O (16.03%)

Molar Mass: 199.63

Atom Count: 23

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	199.0400063
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	UBRNJYSCVHFYDB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.65
Topological Polar Surface Area	39.19
Polarizability	19.4
Ring Count	1
Rotatable Bond Count	4

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