5-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde

C8H6F3NO — CID 58001739

IUPAC5-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESCc1cc(C=O)cnc1C(F)(F)F
InChIInChI=1S/C8H6F3NO/c1-5-2-6(4-13)3-12-7(5)8(9,10)11/h2-4H,1H3
InChIKeyNRWUCCZJOKXKNK-UHFFFAOYSA-N
MW189.14 g/mol
LogP2.22
Rot. Bonds1

About 5-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde

5-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde (PubChem CID 58001739) has the molecular formula C8H6F3NO and a molecular weight of 189.14 g/mol. Its IUPAC name is 5-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde
PubChem CID58001739
Molecular FormulaC8H6F3NO
Molecular Weight189.14 g/mol
Exact Mass189.04
IUPAC Name5-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESCc1cc(C=O)cnc1C(F)(F)F
InChIInChI=1S/C8H6F3NO/c1-5-2-6(4-13)3-12-7(5)8(9,10)11/h2-4H,1H3
InChIKeyNRWUCCZJOKXKNK-UHFFFAOYSA-N
XLogP2.22
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.14
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-methyl-6-(trifluoromethyl)pyridine-3-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 5-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde?
The IUPAC name of 5-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde (CID 58001739) is 5-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 5-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde?
The canonical SMILES for 5-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde is Cc1cc(C=O)cnc1C(F)(F)F.
What is the InChIKey of 5-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde?
The InChIKey is NRWUCCZJOKXKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO/c1-5-2-6(4-13)3-12-7(5)8(9,10)11/h2-4H,1H3.
What are the key properties of 5-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde?
5-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde has a molecular weight of 189.14 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 58001739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).