1-(5-chloro-3-cyano-4-methyl-2-pyridinyl)piperidine-3-carboxylic acid

C13H14ClN3O2 — CID 122051110

IUPAC1-(5-chloro-3-cyano-4-methyl-2-pyridinyl)piperidine-3-carboxylic acid
SMILESCc1c(Cl)cnc(N2CCCC(C(=O)O)C2)c1C#N
InChIInChI=1S/C13H14ClN3O2/c1-8-10(5-15)12(16-6-11(8)14)17-4-2-3-9(7-17)13(18)19/h6,9H,2-4,7H2,1H3,(H,18,19)
InChIKeyVOTHNZVRPYCZMV-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.22
Rot. Bonds2

About 1-(5-chloro-3-cyano-4-methyl-2-pyridinyl)piperidine-3-carboxylic acid

1-(5-chloro-3-cyano-4-methyl-2-pyridinyl)piperidine-3-carboxylic acid (PubChem CID 122051110) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 1-(5-chloro-3-cyano-4-methyl-2-pyridinyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-chloro-3-cyano-4-methyl-2-pyridinyl)piperidine-3-carboxylic acid
PubChem CID122051110
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name1-(5-chloro-3-cyano-4-methyl-2-pyridinyl)piperidine-3-carboxylic acid
SMILESCc1c(Cl)cnc(N2CCCC(C(=O)O)C2)c1C#N
InChIInChI=1S/C13H14ClN3O2/c1-8-10(5-15)12(16-6-11(8)14)17-4-2-3-9(7-17)13(18)19/h6,9H,2-4,7H2,1H3,(H,18,19)
InChIKeyVOTHNZVRPYCZMV-UHFFFAOYSA-N
XLogP2.22
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-1-(5-chloro-3-cyano-4-methyl-2-pyridinyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122063762
(3R)-1-(3-chloro-5-cyano-2-pyridinyl)-N-ethylpiperidine-3-carboxamide
CID 95286679
1-(5-amino-4-cyano-1-ethylpyrazol-3-yl)piperidine-3-carboxylic acid
CID 102795988
1-(2-chloro-6-cyanophenyl)piperidine-3-carboxylic acid
CID 120964825
1-(3-chloro-4-cyanophenyl)piperidine-3-carboxylic acid
CID 62944659
1-(4-cyanopyridazin-3-yl)piperidine-3-carboxylic acid
CID 80507826
1-(7-chloro-3-cyanoimidazo[1,2-a]pyridin-2-yl)piperidine-3-carboxylic acid
CID 122051010
1-(2-cyano-6-methyl-4-pyridinyl)piperidine-3-carboxylic acid
CID 122051050
1-[1-(5-chloro-2-methylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxylic acid
CID 137339200
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 71563740
1-(6-chloro-2-methylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 121204774
[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 166600860

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-3-cyano-4-methyl-2-pyridinyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(5-chloro-3-cyano-4-methyl-2-pyridinyl)piperidine-3-carboxylic acid (CID 122051110) is 1-(5-chloro-3-cyano-4-methyl-2-pyridinyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-chloro-3-cyano-4-methyl-2-pyridinyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(5-chloro-3-cyano-4-methyl-2-pyridinyl)piperidine-3-carboxylic acid is Cc1c(Cl)cnc(N2CCCC(C(=O)O)C2)c1C#N.
What is the InChIKey of 1-(5-chloro-3-cyano-4-methyl-2-pyridinyl)piperidine-3-carboxylic acid?
The InChIKey is VOTHNZVRPYCZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-8-10(5-15)12(16-6-11(8)14)17-4-2-3-9(7-17)13(18)19/h6,9H,2-4,7H2,1H3,(H,18,19).
What are the key properties of 1-(5-chloro-3-cyano-4-methyl-2-pyridinyl)piperidine-3-carboxylic acid?
1-(5-chloro-3-cyano-4-methyl-2-pyridinyl)piperidine-3-carboxylic acid has a molecular weight of 279.73 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-3-cyano-4-methyl-2-pyridinyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122051110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).