5-Chloro-6-(4-(ethoxycarbonyl)-1-piperidinyl)-3-pyridinecarboxylic acid

C₁₄H₁₇ClN₂O₄CAS 931395-73-2312.75 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Ester Tertiary amine

Properties

Molecular formula: C₁₄H₁₇ClN₂O₄
Molar mass: 312.75 g/mol
Exact mass: 312.0877 Da
logP: 2.21Crippen estimate
Polar surface area: 79.7 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

931395-73-2

SMILES

CCOC(=O)C1CCN(CC1)C2=C(C=C(C=N2)C(=O)O)Cl

InChIKey

JEMRGZNDPCCZNF-UHFFFAOYSA-N

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)

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Names and synonyms

1 names

5-Chloro-6-[4-(ethoxycarbonyl)piperidino]-nicotinic acid

Work with 5-Chloro-6-(4-(ethoxycarbonyl)-1-piperidinyl)-3-pyridinecarboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Choro-6-methoxynicotinic acid884494-85-344 % similar 5,6-Dichloronicotinic acid41667-95-243 % similar Ethyl 1-methylpiperidine-4-carboxylate24252-37-741 % similar Ethyl 2-(3-Chloro-2-pyridinyl)-5-oxo-3-pyrazolidinecarboxylate500011-88-140 % similar Ethyl 1-(phenylmethyl)-4-piperidinecarboxylate24228-40-839 % similar Ethyl cyclopropanecarboxylate4606-07-938 % similar Ethyl cyclobutanecarboxylate14924-53-937 % similar Ethyl 4-hydroxycyclohexanecarboxylate17159-80-736 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Chloro-6,7-bis(2-methoxyethoxy)quinazoline183322-18-1

Elsewhere

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