6-phenyl-5-(trifluoromethyl)pyridine-2-carbaldehyde

C13H8F3NO — CID 133096406

IUPAC6-phenyl-5-(trifluoromethyl)pyridine-2-carbaldehyde
SMILESO=Cc1ccc(C(F)(F)F)c(-c2ccccc2)n1
InChIInChI=1S/C13H8F3NO/c14-13(15,16)11-7-6-10(8-18)17-12(11)9-4-2-1-3-5-9/h1-8H
InChIKeyHTJIZPKJVZSBCY-UHFFFAOYSA-N
MW251.21 g/mol
LogP3.58
Rot. Bonds2

About 6-phenyl-5-(trifluoromethyl)pyridine-2-carbaldehyde

6-phenyl-5-(trifluoromethyl)pyridine-2-carbaldehyde (PubChem CID 133096406) has the molecular formula C13H8F3NO and a molecular weight of 251.21 g/mol. Its IUPAC name is 6-phenyl-5-(trifluoromethyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-phenyl-5-(trifluoromethyl)pyridine-2-carbaldehyde
PubChem CID133096406
Molecular FormulaC13H8F3NO
Molecular Weight251.21 g/mol
Exact Mass251.06
IUPAC Name6-phenyl-5-(trifluoromethyl)pyridine-2-carbaldehyde
SMILESO=Cc1ccc(C(F)(F)F)c(-c2ccccc2)n1
InChIInChI=1S/C13H8F3NO/c14-13(15,16)11-7-6-10(8-18)17-12(11)9-4-2-1-3-5-9/h1-8H
InChIKeyHTJIZPKJVZSBCY-UHFFFAOYSA-N
XLogP3.58
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-phenyl-5-(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

Related Compounds

[6-phenyl-5-(trifluoromethyl)-2-pyridinyl]methanol
CID 133095051
2-phenyl-6-(trifluoromethyl)pyrimidine-4-carbaldehyde
CID 138756339
3-phenyl-4-(trifluoromethyl)benzaldehyde
CID 46314974
6-methyl-5-phenylpyridine-2-carbaldehyde
CID 171066031
5,6-bis[4-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde
CID 134629132
3-phenyl-5-(trifluoromethyl)-1,2-thiazole-4-carbaldehyde
CID 175198567
2-methylsulfanyl-4-phenyl-5-(trifluoromethyl)pyrimidine
CID 71232496
2-[3-phenyl-4-(trifluoromethyl)pyrazol-1-yl]acetic acid
CID 82625606
5-(1,1-difluoroethyl)-N-methyl-6-phenylpyridin-2-amine;2-methylpropane
CID 143772320
2-propan-2-yl-1-[2-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde
CID 142674645
4-(trifluoromethyl)naphthalene-1-carbaldehyde
CID 18537700
2-methyl-4-phenyl-8-(trifluoromethyl)quinazoline
CID 68735637

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-5-(trifluoromethyl)pyridine-2-carbaldehyde?
The IUPAC name of 6-phenyl-5-(trifluoromethyl)pyridine-2-carbaldehyde (CID 133096406) is 6-phenyl-5-(trifluoromethyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 6-phenyl-5-(trifluoromethyl)pyridine-2-carbaldehyde?
The canonical SMILES for 6-phenyl-5-(trifluoromethyl)pyridine-2-carbaldehyde is O=Cc1ccc(C(F)(F)F)c(-c2ccccc2)n1.
What is the InChIKey of 6-phenyl-5-(trifluoromethyl)pyridine-2-carbaldehyde?
The InChIKey is HTJIZPKJVZSBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO/c14-13(15,16)11-7-6-10(8-18)17-12(11)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 6-phenyl-5-(trifluoromethyl)pyridine-2-carbaldehyde?
6-phenyl-5-(trifluoromethyl)pyridine-2-carbaldehyde has a molecular weight of 251.21 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-5-(trifluoromethyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 133096406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).