2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridine-3-carbaldehyde

C11H11F3N2O — CID 86607926

IUPAC2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(C(F)(F)F)nc1N1CCCC1
InChIInChI=1S/C11H11F3N2O/c12-11(13,14)9-4-3-8(7-17)10(15-9)16-5-1-2-6-16/h3-4,7H,1-2,5-6H2
InChIKeyCIMMTCZDDOQPBZ-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.51
Rot. Bonds2

About 2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridine-3-carbaldehyde

2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridine-3-carbaldehyde (PubChem CID 86607926) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridine-3-carbaldehyde
PubChem CID86607926
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(C(F)(F)F)nc1N1CCCC1
InChIInChI=1S/C11H11F3N2O/c12-11(13,14)9-4-3-8(7-17)10(15-9)16-5-1-2-6-16/h3-4,7H,1-2,5-6H2
InChIKeyCIMMTCZDDOQPBZ-UHFFFAOYSA-N
XLogP2.51
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridine-3-carbaldehyde?
The IUPAC name of 2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridine-3-carbaldehyde (CID 86607926) is 2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridine-3-carbaldehyde is O=Cc1ccc(C(F)(F)F)nc1N1CCCC1.
What is the InChIKey of 2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridine-3-carbaldehyde?
The InChIKey is CIMMTCZDDOQPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O/c12-11(13,14)9-4-3-8(7-17)10(15-9)16-5-1-2-6-16/h3-4,7H,1-2,5-6H2.
What are the key properties of 2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridine-3-carbaldehyde?
2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridine-3-carbaldehyde has a molecular weight of 244.22 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 86607926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).