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

C13H12F3N3O — CID 79876753

IUPAC2-(2-formylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1N1CCCCC1C=O
InChIInChI=1S/C13H12F3N3O/c14-13(15,16)11-5-4-9(7-17)12(18-11)19-6-2-1-3-10(19)8-20/h4-5,8,10H,1-3,6H2
InChIKeyKWRYWBQLGXHOSP-UHFFFAOYSA-N
MW283.25 g/mol
LogP2.53
Rot. Bonds2

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

2-(2-formylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 79876753) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is 2-(2-formylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-formylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID79876753
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name2-(2-formylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1N1CCCCC1C=O
InChIInChI=1S/C13H12F3N3O/c14-13(15,16)11-5-4-9(7-17)12(18-11)19-6-2-1-3-10(19)8-20/h4-5,8,10H,1-3,6H2
InChIKeyKWRYWBQLGXHOSP-UHFFFAOYSA-N
XLogP2.53
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 52.53
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-ethylazepan-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 104689822
2-(2-acetylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79874356
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79875877
2-(2-formylpiperidin-1-yl)pyridine-3-carbonitrile
CID 62663072
1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-N-methylpyrrolidine-2-carboxamide
CID 78965989
2-(azetidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 126779013
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 102780785
2-(2-formylpiperidin-1-yl)-5-(trifluoromethyl)benzonitrile
CID 62663598
2-[(2R)-2-[(3S,4R)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 129447224
2-(3-aminopyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79876947
2-(2-methyl-3-oxopiperazin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 71977916
2-[4-(cyclopropylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133381233

Frequently Asked Questions

What is the IUPAC name of 2-(2-formylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(2-formylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 79876753) is 2-(2-formylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-formylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(2-formylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1ccc(C(F)(F)F)nc1N1CCCCC1C=O.
What is the InChIKey of 2-(2-formylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is KWRYWBQLGXHOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c14-13(15,16)11-5-4-9(7-17)12(18-11)19-6-2-1-3-10(19)8-20/h4-5,8,10H,1-3,6H2.
What are the key properties of 2-(2-formylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-(2-formylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 283.25 g/mol, XLogP of 2.53, 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)-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 79876753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).