5-chloro-6-[4-(ethoxycarbonyl)piperidin-1-yl]pyridine-3-carboxylic acid

5-chloro-6-[4-(ethoxycarbonyl)piperidin-1-yl]pyridine-3-carboxylic acid

CAS: 931395-73-2

Formula: C14H17ClN2O4

SMILES: CCOC(=O)C1CCN(CC1)C1=C(Cl)C=C(C=N1)C(O)=O

IUPAC: 5-chloro-6-[4-(ethoxycarbonyl)piperidin-1-yl]pyridine-3-carboxylic acid

InChI: InChI=1S/C14H17ClN2O4/c1-2-21-14(20)9-3-5-17(6-4-9)12-11(15)7-10(8-16-12)13(18)19/h7-9H,2-6H2,1H3,(H,18,19)

Composition: C (53.77%), H (5.48%), Cl (11.33%), N (8.96%), O (20.46%)

Molar Mass: 312.75

Atom Count: 38

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	312.0876847
Formal Charge	0
FSP3	0.5
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	JEMRGZNDPCCZNF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	78.6
Topological Polar Surface Area	79.73
Polarizability	29.69
Ring Count	2
Rotatable Bond Count	5

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