6-(2-formylpiperidin-1-yl)pyridine-3-carbonitrile

C12H13N3O — CID 62662719

IUPAC6-(2-formylpiperidin-1-yl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCCCC2C=O)nc1
InChIInChI=1S/C12H13N3O/c13-7-10-4-5-12(14-8-10)15-6-2-1-3-11(15)9-16/h4-5,8-9,11H,1-3,6H2
InChIKeyNSWNQMVWOBPOOW-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.51
Rot. Bonds2

About 6-(2-formylpiperidin-1-yl)pyridine-3-carbonitrile

6-(2-formylpiperidin-1-yl)pyridine-3-carbonitrile (PubChem CID 62662719) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 6-(2-formylpiperidin-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(2-formylpiperidin-1-yl)pyridine-3-carbonitrile
PubChem CID62662719
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name6-(2-formylpiperidin-1-yl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCCCC2C=O)nc1
InChIInChI=1S/C12H13N3O/c13-7-10-4-5-12(14-8-10)15-6-2-1-3-11(15)9-16/h4-5,8-9,11H,1-3,6H2
InChIKeyNSWNQMVWOBPOOW-UHFFFAOYSA-N
XLogP1.51
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloro-2-pyridinyl)piperidine-2-carbaldehyde
CID 62662720
(2S)-1-(5-cyano-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 30078852
1-pyridin-2-ylpiperidine-2-carbaldehyde
CID 62665226
6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]pyridine-3-carbonitrile
CID 75483989
6-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 95303369
(2S)-1-(5-cyano-2-pyridinyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 32877843
6-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 95308098
6-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 95305714
2-(2-formylpiperidin-1-yl)pyridine-3-carbonitrile
CID 62663072
1-(4-methyl-2-pyridinyl)piperidine-2-carbaldehyde
CID 62663428
6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-3-carbonitrile
CID 102780806
2-(2-formylpiperidin-1-yl)quinoline-4-carbonitrile
CID 63886612

Frequently Asked Questions

What is the IUPAC name of 6-(2-formylpiperidin-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 6-(2-formylpiperidin-1-yl)pyridine-3-carbonitrile (CID 62662719) is 6-(2-formylpiperidin-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(2-formylpiperidin-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(2-formylpiperidin-1-yl)pyridine-3-carbonitrile is N#Cc1ccc(N2CCCCC2C=O)nc1.
What is the InChIKey of 6-(2-formylpiperidin-1-yl)pyridine-3-carbonitrile?
The InChIKey is NSWNQMVWOBPOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c13-7-10-4-5-12(14-8-10)15-6-2-1-3-11(15)9-16/h4-5,8-9,11H,1-3,6H2.
What are the key properties of 6-(2-formylpiperidin-1-yl)pyridine-3-carbonitrile?
6-(2-formylpiperidin-1-yl)pyridine-3-carbonitrile has a molecular weight of 215.26 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-formylpiperidin-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 62662719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).