ethyl 2-chloro-5-methylpyridine-4-carboxylate

ethyl 2-chloro-5-methylpyridine-4-carboxylate

CAS: 850080-86-3

Formula: C9H10ClNO2

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

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

InChI: InChI=1S/C9H10ClNO2/c1-3-13-9(12)7-4-8(10)11-5-6(7)2/h4-5H,3H2,1-2H3

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	GFJZRVALPSSHSN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.58
Topological Polar Surface Area	39.19
Polarizability	19.43
Ring Count	1
Rotatable Bond Count	3

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