1-(3-chloropyridine-4-carbonyl)piperidine-2-carboxylic acid

C12H13ClN2O3 — CID 66462594

IUPAC1-(3-chloropyridine-4-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)c1ccncc1Cl
InChIInChI=1S/C12H13ClN2O3/c13-9-7-14-5-4-8(9)11(16)15-6-2-1-3-10(15)12(17)18/h4-5,7,10H,1-3,6H2,(H,17,18)
InChIKeyMJLWPFNNIQWUSD-UHFFFAOYSA-N
MW268.70 g/mol
LogP1.81
Rot. Bonds2

About 1-(3-chloropyridine-4-carbonyl)piperidine-2-carboxylic acid

1-(3-chloropyridine-4-carbonyl)piperidine-2-carboxylic acid (PubChem CID 66462594) has the molecular formula C12H13ClN2O3 and a molecular weight of 268.70 g/mol. Its IUPAC name is 1-(3-chloropyridine-4-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-chloropyridine-4-carbonyl)piperidine-2-carboxylic acid
PubChem CID66462594
Molecular FormulaC12H13ClN2O3
Molecular Weight268.70 g/mol
Exact Mass268.06
IUPAC Name1-(3-chloropyridine-4-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)c1ccncc1Cl
InChIInChI=1S/C12H13ClN2O3/c13-9-7-14-5-4-8(9)11(16)15-6-2-1-3-10(15)12(17)18/h4-5,7,10H,1-3,6H2,(H,17,18)
InChIKeyMJLWPFNNIQWUSD-UHFFFAOYSA-N
XLogP1.81
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromopyridine-4-carbonyl)piperidine-2-carboxylic acid
CID 120514918
(2S)-1-(3-hydroxypyridine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 81446552
(2S)-1-(4-bromo-2-chlorobenzoyl)piperidine-2-carboxylic acid
CID 66263977
1-(4-bromo-2-chlorobenzoyl)azepane-2-carboxylic acid
CID 64558775
[2-(1-aminoethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 66483593
(2S)-1-(2-chloropyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 97169127
(2R)-1-(2-chlorofuran-3-carbonyl)piperidine-2-carboxylic acid
CID 106683530
(3-chloro-4-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 66483205
(3-chloro-4-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 66482590
(2S)-1-(3-chloro-2-methylbenzoyl)piperidine-2-carboxylic acid
CID 107095991
(2R)-1-(2-chloro-5-hydroxybenzoyl)piperidine-2-carboxylic acid
CID 106500348
(3R)-1-(3-chloropyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 81118358

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloropyridine-4-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(3-chloropyridine-4-carbonyl)piperidine-2-carboxylic acid (CID 66462594) is 1-(3-chloropyridine-4-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-chloropyridine-4-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(3-chloropyridine-4-carbonyl)piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(=O)c1ccncc1Cl.
What is the InChIKey of 1-(3-chloropyridine-4-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is MJLWPFNNIQWUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3/c13-9-7-14-5-4-8(9)11(16)15-6-2-1-3-10(15)12(17)18/h4-5,7,10H,1-3,6H2,(H,17,18).
What are the key properties of 1-(3-chloropyridine-4-carbonyl)piperidine-2-carboxylic acid?
1-(3-chloropyridine-4-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 268.70 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropyridine-4-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 66462594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).