5-cyano-6-formyl-2-piperidin-1-ylpyridine-3-carboxylic acid

C13H13N3O3 — CID 23342259

IUPAC5-cyano-6-formyl-2-piperidin-1-ylpyridine-3-carboxylic acid
SMILESN#Cc1cc(C(=O)O)c(N2CCCCC2)nc1C=O
InChIInChI=1S/C13H13N3O3/c14-7-9-6-10(13(18)19)12(15-11(9)8-17)16-4-2-1-3-5-16/h6,8H,1-5H2,(H,18,19)
InChIKeyWSXKLTKLRNRZLS-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.45
Rot. Bonds3

About 5-cyano-6-formyl-2-piperidin-1-ylpyridine-3-carboxylic acid

5-cyano-6-formyl-2-piperidin-1-ylpyridine-3-carboxylic acid (PubChem CID 23342259) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 5-cyano-6-formyl-2-piperidin-1-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-cyano-6-formyl-2-piperidin-1-ylpyridine-3-carboxylic acid
PubChem CID23342259
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name5-cyano-6-formyl-2-piperidin-1-ylpyridine-3-carboxylic acid
SMILESN#Cc1cc(C(=O)O)c(N2CCCCC2)nc1C=O
InChIInChI=1S/C13H13N3O3/c14-7-9-6-10(13(18)19)12(15-11(9)8-17)16-4-2-1-3-5-16/h6,8H,1-5H2,(H,18,19)
InChIKeyWSXKLTKLRNRZLS-UHFFFAOYSA-N
XLogP1.45
TPSA94.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-6-formyl-2-piperidin-1-ylpyridine-3-carboxylic acid?
The IUPAC name of 5-cyano-6-formyl-2-piperidin-1-ylpyridine-3-carboxylic acid (CID 23342259) is 5-cyano-6-formyl-2-piperidin-1-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-cyano-6-formyl-2-piperidin-1-ylpyridine-3-carboxylic acid?
The canonical SMILES for 5-cyano-6-formyl-2-piperidin-1-ylpyridine-3-carboxylic acid is N#Cc1cc(C(=O)O)c(N2CCCCC2)nc1C=O.
What is the InChIKey of 5-cyano-6-formyl-2-piperidin-1-ylpyridine-3-carboxylic acid?
The InChIKey is WSXKLTKLRNRZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c14-7-9-6-10(13(18)19)12(15-11(9)8-17)16-4-2-1-3-5-16/h6,8H,1-5H2,(H,18,19).
What are the key properties of 5-cyano-6-formyl-2-piperidin-1-ylpyridine-3-carboxylic acid?
5-cyano-6-formyl-2-piperidin-1-ylpyridine-3-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-6-formyl-2-piperidin-1-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 23342259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).