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

C12H13N3O — CID 62663072

IUPAC2-(2-formylpiperidin-1-yl)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCCCC1C=O
InChIInChI=1S/C12H13N3O/c13-8-10-4-3-6-14-12(10)15-7-2-1-5-11(15)9-16/h3-4,6,9,11H,1-2,5,7H2
InChIKeyUVHJKJSNFJBCMD-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.51
Rot. Bonds2

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

2-(2-formylpiperidin-1-yl)pyridine-3-carbonitrile (PubChem CID 62663072) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-(2-formylpiperidin-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-formylpiperidin-1-yl)pyridine-3-carbonitrile
PubChem CID62663072
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name2-(2-formylpiperidin-1-yl)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCCCC1C=O
InChIInChI=1S/C12H13N3O/c13-8-10-4-3-6-14-12(10)15-7-2-1-5-11(15)9-16/h3-4,6,9,11H,1-2,5,7H2
InChIKeyUVHJKJSNFJBCMD-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

2-[2-(2-phenylethyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 133406762
2-(2-pyrimidin-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile
CID 166257527
1-pyrazolo[1,5-a]pyrazin-4-ylpiperidine-2-carbaldehyde
CID 104733726
2-(2-formylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79876753
1-(3-cyano-2-pyridinyl)pyrrolidine-2-carboxamide
CID 43183688
2-(2-phenylpyrrolidin-1-yl)pyridine-3-carbonitrile
CID 51313680
1-pyridin-2-ylpiperidine-2-carbaldehyde
CID 62665226
1-furo[3,2-c]pyridin-4-ylpiperidine-2-carbaldehyde
CID 106535618
2-[2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 56789597
6-(2-formylpiperidin-1-yl)pyridine-3-carbonitrile
CID 62662719
2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]pyridine-3-carbonitrile
CID 94173243
2-[2-(3-methylphenyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 47299056

Frequently Asked Questions

What is the IUPAC name of 2-(2-formylpiperidin-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-(2-formylpiperidin-1-yl)pyridine-3-carbonitrile (CID 62663072) is 2-(2-formylpiperidin-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-formylpiperidin-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(2-formylpiperidin-1-yl)pyridine-3-carbonitrile is N#Cc1cccnc1N1CCCCC1C=O.
What is the InChIKey of 2-(2-formylpiperidin-1-yl)pyridine-3-carbonitrile?
The InChIKey is UVHJKJSNFJBCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c13-8-10-4-3-6-14-12(10)15-7-2-1-5-11(15)9-16/h3-4,6,9,11H,1-2,5,7H2.
What are the key properties of 2-(2-formylpiperidin-1-yl)pyridine-3-carbonitrile?
2-(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 2-(2-formylpiperidin-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 62663072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).