ethyl 5-methylpyridine-3-carboxylate

ethyl 5-methylpyridine-3-carboxylate

CAS: 20826-02-2

Formula: C9H11NO2

SMILES: CCOC(=O)C1=CN=CC(C)=C1

IUPAC: ethyl 5-methylpyridine-3-carboxylate

InChI: InChI=1S/C9H11NO2/c1-3-12-9(11)8-4-7(2)5-10-6-8/h4-6H,3H2,1-2H3

Composition: C (65.44%), H (6.71%), N (8.48%), O (19.37%)

Molar Mass: 165.192

Atom Count: 23

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	165.078978598
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	CLGKEUKISVVXPZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.72
Topological Polar Surface Area	39.19
Polarizability	17.46
Ring Count	1
Rotatable Bond Count	3

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