ethyl 5-(ethanesulfonyl)pyridine-2-carboxylate

ethyl 5-(ethanesulfonyl)pyridine-2-carboxylate

CAS: 1314406-40-0

Formula: C10H13NO4S

SMILES: CCOC(=O)C1=CC=C(C=N1)S(=O)(=O)CC

IUPAC: ethyl 5-(ethanesulfonyl)pyridine-2-carboxylate

InChI: InChI=1S/C10H13NO4S/c1-3-15-10(12)9-6-5-8(7-11-9)16(13,14)4-2/h5-7H,3-4H2,1-2H3

Composition: C (49.37%), H (5.39%), N (5.76%), O (26.31%), S (13.18%)

Molar Mass: 243.28

Atom Count: 29

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	243.056529077
Formal Charge	0
FSP3	0.4
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	SIHIRPBCEHQTAU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.97
Topological Polar Surface Area	73.33
Polarizability	23.6
Ring Count	1
Rotatable Bond Count	5

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