3-pyridin-3-yl-6-(trifluoromethyl)pyridine-2-carbaldehyde

C12H7F3N2O — CID 131870493

IUPAC3-pyridin-3-yl-6-(trifluoromethyl)pyridine-2-carbaldehyde
SMILESO=Cc1nc(C(F)(F)F)ccc1-c1cccnc1
InChIInChI=1S/C12H7F3N2O/c13-12(14,15)11-4-3-9(10(7-18)17-11)8-2-1-5-16-6-8/h1-7H
InChIKeyHSQYVWGPPWCFGC-UHFFFAOYSA-N
MW252.20 g/mol
LogP2.97
Rot. Bonds2

About 3-pyridin-3-yl-6-(trifluoromethyl)pyridine-2-carbaldehyde

3-pyridin-3-yl-6-(trifluoromethyl)pyridine-2-carbaldehyde (PubChem CID 131870493) has the molecular formula C12H7F3N2O and a molecular weight of 252.20 g/mol. Its IUPAC name is 3-pyridin-3-yl-6-(trifluoromethyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-pyridin-3-yl-6-(trifluoromethyl)pyridine-2-carbaldehyde
PubChem CID131870493
Molecular FormulaC12H7F3N2O
Molecular Weight252.20 g/mol
Exact Mass252.05
IUPAC Name3-pyridin-3-yl-6-(trifluoromethyl)pyridine-2-carbaldehyde
SMILESO=Cc1nc(C(F)(F)F)ccc1-c1cccnc1
InChIInChI=1S/C12H7F3N2O/c13-12(14,15)11-4-3-9(10(7-18)17-11)8-2-1-5-16-6-8/h1-7H
InChIKeyHSQYVWGPPWCFGC-UHFFFAOYSA-N
XLogP2.97
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-pyridin-3-yl-6-(trifluoromethyl)pyridine-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-6-(trifluoromethyl)pyridine-2-carbaldehyde?
The IUPAC name of 3-pyridin-3-yl-6-(trifluoromethyl)pyridine-2-carbaldehyde (CID 131870493) is 3-pyridin-3-yl-6-(trifluoromethyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 3-pyridin-3-yl-6-(trifluoromethyl)pyridine-2-carbaldehyde?
The canonical SMILES for 3-pyridin-3-yl-6-(trifluoromethyl)pyridine-2-carbaldehyde is O=Cc1nc(C(F)(F)F)ccc1-c1cccnc1.
What is the InChIKey of 3-pyridin-3-yl-6-(trifluoromethyl)pyridine-2-carbaldehyde?
The InChIKey is HSQYVWGPPWCFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N2O/c13-12(14,15)11-4-3-9(10(7-18)17-11)8-2-1-5-16-6-8/h1-7H.
What are the key properties of 3-pyridin-3-yl-6-(trifluoromethyl)pyridine-2-carbaldehyde?
3-pyridin-3-yl-6-(trifluoromethyl)pyridine-2-carbaldehyde has a molecular weight of 252.20 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-6-(trifluoromethyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 131870493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).