5-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carbaldehyde

C11H8F3N3O — CID 80631834

IUPAC5-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carbaldehyde
SMILESCc1cc(C=O)cnc1-n1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H8F3N3O/c1-7-4-8(6-18)5-15-10(7)17-3-2-9(16-17)11(12,13)14/h2-6H,1H3
InChIKeyRNUCGZGCXFTYTJ-UHFFFAOYSA-N
MW255.20 g/mol
LogP2.41
Rot. Bonds2

About 5-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carbaldehyde

5-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carbaldehyde (PubChem CID 80631834) has the molecular formula C11H8F3N3O and a molecular weight of 255.20 g/mol. Its IUPAC name is 5-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carbaldehyde
PubChem CID80631834
Molecular FormulaC11H8F3N3O
Molecular Weight255.20 g/mol
Exact Mass255.06
IUPAC Name5-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carbaldehyde
SMILESCc1cc(C=O)cnc1-n1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H8F3N3O/c1-7-4-8(6-18)5-15-10(7)17-3-2-9(16-17)11(12,13)14/h2-6H,1H3
InChIKeyRNUCGZGCXFTYTJ-UHFFFAOYSA-N
XLogP2.41
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]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-[3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carbaldehyde?
The IUPAC name of 5-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carbaldehyde (CID 80631834) is 5-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carbaldehyde.
What is the SMILES notation for 5-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carbaldehyde?
The canonical SMILES for 5-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carbaldehyde is Cc1cc(C=O)cnc1-n1ccc(C(F)(F)F)n1.
What is the InChIKey of 5-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carbaldehyde?
The InChIKey is RNUCGZGCXFTYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O/c1-7-4-8(6-18)5-15-10(7)17-3-2-9(16-17)11(12,13)14/h2-6H,1H3.
What are the key properties of 5-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carbaldehyde?
5-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carbaldehyde has a molecular weight of 255.20 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carbaldehyde is sourced from PubChem (CID 80631834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).