methyl 2-chloro-5-methylpyridine-4-carboxylate

methyl 2-chloro-5-methylpyridine-4-carboxylate

CAS: 787596-43-4

Formula: C8H8ClNO2

SMILES: COC(=O)C1=CC(Cl)=NC=C1C

IUPAC: methyl 2-chloro-5-methylpyridine-4-carboxylate

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

Composition: C (51.77%), H (4.34%), Cl (19.10%), N (7.55%), O (17.24%)

Molar Mass: 185.61

Atom Count: 20

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	185.0243562
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	GVVYMHVKPSQYEY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.83
Topological Polar Surface Area	39.19
Polarizability	17.61
Ring Count	1
Rotatable Bond Count	2

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