1-(5-chloro-6-cyano-2-pyridinyl)piperidine-4-carboxylic acid

C12H12ClN3O2 — CID 122047509

IUPAC1-(5-chloro-6-cyano-2-pyridinyl)piperidine-4-carboxylic acid
SMILESN#Cc1nc(N2CCC(C(=O)O)CC2)ccc1Cl
InChIInChI=1S/C12H12ClN3O2/c13-9-1-2-11(15-10(9)7-14)16-5-3-8(4-6-16)12(17)18/h1-2,8H,3-6H2,(H,17,18)
InChIKeyZXCLLRQXVDNMFT-UHFFFAOYSA-N
MW265.70 g/mol
LogP1.91
Rot. Bonds2

About 1-(5-chloro-6-cyano-2-pyridinyl)piperidine-4-carboxylic acid

1-(5-chloro-6-cyano-2-pyridinyl)piperidine-4-carboxylic acid (PubChem CID 122047509) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 1-(5-chloro-6-cyano-2-pyridinyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-chloro-6-cyano-2-pyridinyl)piperidine-4-carboxylic acid
PubChem CID122047509
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name1-(5-chloro-6-cyano-2-pyridinyl)piperidine-4-carboxylic acid
SMILESN#Cc1nc(N2CCC(C(=O)O)CC2)ccc1Cl
InChIInChI=1S/C12H12ClN3O2/c13-9-1-2-11(15-10(9)7-14)16-5-3-8(4-6-16)12(17)18/h1-2,8H,3-6H2,(H,17,18)
InChIKeyZXCLLRQXVDNMFT-UHFFFAOYSA-N
XLogP1.91
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 133458797
methyl 2-[4-(5-chloro-6-cyano-2-pyridinyl)piperazin-1-yl]acetate
CID 133333896
6-[4-(5-aminopyrazolidin-3-yl)piperidin-1-yl]-3-chloropyridine-2-carbonitrile
CID 134068462
1-(5-chloro-2-pyridinyl)piperidine-4-carboxylic acid
CID 16787048
3-chloro-6-[4-(3-chlorophenyl)piperazin-1-yl]pyridine-2-carbonitrile
CID 133282877
3-chloro-6-(4,4-dimethylazepan-1-yl)pyridine-2-carbonitrile
CID 133323340
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-chloropyridine-2-carbonitrile
CID 133305732
3-chloro-6-(2,3-dimethylpyrrolidin-1-yl)pyridine-2-carbonitrile
CID 127430193
1-(5-chloro-6-cyano-2-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 133331252
3-chloro-6-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyridine-2-carbonitrile
CID 56584074
6-(3-anilinopiperidin-1-yl)-3-chloropyridine-2-carbonitrile
CID 133363190
1-[6-(4-chloro-3-methoxyphenyl)quinolin-2-yl]piperidine-4-carboxylic acid
CID 174215034

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-6-cyano-2-pyridinyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(5-chloro-6-cyano-2-pyridinyl)piperidine-4-carboxylic acid (CID 122047509) is 1-(5-chloro-6-cyano-2-pyridinyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-chloro-6-cyano-2-pyridinyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-chloro-6-cyano-2-pyridinyl)piperidine-4-carboxylic acid is N#Cc1nc(N2CCC(C(=O)O)CC2)ccc1Cl.
What is the InChIKey of 1-(5-chloro-6-cyano-2-pyridinyl)piperidine-4-carboxylic acid?
The InChIKey is ZXCLLRQXVDNMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c13-9-1-2-11(15-10(9)7-14)16-5-3-8(4-6-16)12(17)18/h1-2,8H,3-6H2,(H,17,18).
What are the key properties of 1-(5-chloro-6-cyano-2-pyridinyl)piperidine-4-carboxylic acid?
1-(5-chloro-6-cyano-2-pyridinyl)piperidine-4-carboxylic acid has a molecular weight of 265.70 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-6-cyano-2-pyridinyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 122047509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).