6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyridine-2-carbaldehyde

C15H10F3NO — CID 122476089

IUPAC6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyridine-2-carbaldehyde
SMILESO=Cc1cccc(/C=C/c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C15H10F3NO/c16-15(17,18)12-4-1-3-11(9-12)7-8-13-5-2-6-14(10-20)19-13/h1-10H/b8-7+
InChIKeyVCFOIXIPIVXNJU-BQYQJAHWSA-N
MW277.25 g/mol
LogP4.08
Rot. Bonds3

About 6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyridine-2-carbaldehyde

6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyridine-2-carbaldehyde (PubChem CID 122476089) has the molecular formula C15H10F3NO and a molecular weight of 277.25 g/mol. Its IUPAC name is 6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyridine-2-carbaldehyde
PubChem CID122476089
Molecular FormulaC15H10F3NO
Molecular Weight277.25 g/mol
Exact Mass277.07
IUPAC Name6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyridine-2-carbaldehyde
SMILESO=Cc1cccc(/C=C/c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C15H10F3NO/c16-15(17,18)12-4-1-3-11(9-12)7-8-13-5-2-6-14(10-20)19-13/h1-10H/b8-7+
InChIKeyVCFOIXIPIVXNJU-BQYQJAHWSA-N
XLogP4.08
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]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

3-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 122476067
3-fluoro-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 122476262
3-(trifluoromethoxy)-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 122475563
4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]aniline
CID 141309127
6-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]pyridine-2-carbaldehyde
CID 143311329
(Z)-4-[3-(trifluoromethyl)phenyl]but-3-en-2-one
CID 23274083
(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl chloride
CID 5375564
1-(3-chloroprop-1-enyl)-3-(trifluoromethyl)benzene
CID 53441843
2-[3-(trifluoromethyl)phenyl]ethenone
CID 13054863
[4-formyl-2-[2-[3-(trifluoromethyl)phenyl]ethenyl]phenyl] trifluoromethanesulfonate
CID 154068655
3-(1,1,2,2-tetrafluoroethyl)benzaldehyde
CID 84722173
1-[2-(3-fluorophenyl)ethenyl]-3,5-bis(trifluoromethyl)benzene
CID 175767255

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyridine-2-carbaldehyde?
The IUPAC name of 6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyridine-2-carbaldehyde (CID 122476089) is 6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyridine-2-carbaldehyde.
What is the SMILES notation for 6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyridine-2-carbaldehyde?
The canonical SMILES for 6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyridine-2-carbaldehyde is O=Cc1cccc(/C=C/c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyridine-2-carbaldehyde?
The InChIKey is VCFOIXIPIVXNJU-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H10F3NO/c16-15(17,18)12-4-1-3-11(9-12)7-8-13-5-2-6-14(10-20)19-13/h1-10H/b8-7+.
What are the key properties of 6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyridine-2-carbaldehyde?
6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyridine-2-carbaldehyde has a molecular weight of 277.25 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyridine-2-carbaldehyde is sourced from PubChem (CID 122476089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).