5-phenyl-2-(trifluoromethyl)pyridine-4-carbaldehyde

C13H8F3NO — CID 133096204

IUPAC5-phenyl-2-(trifluoromethyl)pyridine-4-carbaldehyde
SMILESO=Cc1cc(C(F)(F)F)ncc1-c1ccccc1
InChIInChI=1S/C13H8F3NO/c14-13(15,16)12-6-10(8-18)11(7-17-12)9-4-2-1-3-5-9/h1-8H
InChIKeyUIHZVUVOWQTYDZ-UHFFFAOYSA-N
MW251.21 g/mol
LogP3.58
Rot. Bonds2

About 5-phenyl-2-(trifluoromethyl)pyridine-4-carbaldehyde

5-phenyl-2-(trifluoromethyl)pyridine-4-carbaldehyde (PubChem CID 133096204) has the molecular formula C13H8F3NO and a molecular weight of 251.21 g/mol. Its IUPAC name is 5-phenyl-2-(trifluoromethyl)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name5-phenyl-2-(trifluoromethyl)pyridine-4-carbaldehyde
PubChem CID133096204
Molecular FormulaC13H8F3NO
Molecular Weight251.21 g/mol
Exact Mass251.06
IUPAC Name5-phenyl-2-(trifluoromethyl)pyridine-4-carbaldehyde
SMILESO=Cc1cc(C(F)(F)F)ncc1-c1ccccc1
InChIInChI=1S/C13H8F3NO/c14-13(15,16)12-6-10(8-18)11(7-17-12)9-4-2-1-3-5-9/h1-8H
InChIKeyUIHZVUVOWQTYDZ-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'}

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Related Compounds

2-fluoro-5-[3-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde
CID 133089606
2-[5-phenyl-2-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 133096208
2-[4-phenyl-6-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 133095880
2-phenyl-6-(trifluoromethyl)pyrimidine-4-carbaldehyde
CID 138756339
2-fluoro-5-phenylpyridine-3-carbaldehyde
CID 74892044
3-phenyl-4-(trifluoromethyl)benzaldehyde
CID 46314974
2,5-dipyridin-4-ylpyridine-4-carbaldehyde
CID 131870499
5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]benzaldehyde
CID 169095272
[3-phenyl-5-(trifluoromethyl)-2-pyridinyl]methanol
CID 118812916
2-[4-(3-hydroxyphenyl)-8-(trifluoromethyl)quinolin-3-yl]benzaldehyde
CID 87202387
2-(2-phenylphenyl)benzaldehyde
CID 11322869
5-fluoro-2-[2-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde
CID 133089617

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-(trifluoromethyl)pyridine-4-carbaldehyde?
The IUPAC name of 5-phenyl-2-(trifluoromethyl)pyridine-4-carbaldehyde (CID 133096204) is 5-phenyl-2-(trifluoromethyl)pyridine-4-carbaldehyde.
What is the SMILES notation for 5-phenyl-2-(trifluoromethyl)pyridine-4-carbaldehyde?
The canonical SMILES for 5-phenyl-2-(trifluoromethyl)pyridine-4-carbaldehyde is O=Cc1cc(C(F)(F)F)ncc1-c1ccccc1.
What is the InChIKey of 5-phenyl-2-(trifluoromethyl)pyridine-4-carbaldehyde?
The InChIKey is UIHZVUVOWQTYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO/c14-13(15,16)12-6-10(8-18)11(7-17-12)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 5-phenyl-2-(trifluoromethyl)pyridine-4-carbaldehyde?
5-phenyl-2-(trifluoromethyl)pyridine-4-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 5-phenyl-2-(trifluoromethyl)pyridine-4-carbaldehyde is sourced from PubChem (CID 133096204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).