5-[[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carbaldehyde

C14H10F3NO — CID 157346650

IUPAC5-[[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carbaldehyde
SMILESO=Cc1ccc(Cc2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C14H10F3NO/c15-14(16,17)12-3-1-2-10(7-12)6-11-4-5-13(9-19)18-8-11/h1-5,7-9H,6H2
InChIKeyQPKOABDBJFCWLK-UHFFFAOYSA-N
MW265.23 g/mol
LogP3.50
Rot. Bonds3

About 5-[[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carbaldehyde

5-[[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carbaldehyde (PubChem CID 157346650) has the molecular formula C14H10F3NO and a molecular weight of 265.23 g/mol. Its IUPAC name is 5-[[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-[[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carbaldehyde
PubChem CID157346650
Molecular FormulaC14H10F3NO
Molecular Weight265.23 g/mol
Exact Mass265.07
IUPAC Name5-[[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carbaldehyde
SMILESO=Cc1ccc(Cc2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C14H10F3NO/c15-14(16,17)12-3-1-2-10(7-12)6-11-4-5-13(9-19)18-8-11/h1-5,7-9H,6H2
InChIKeyQPKOABDBJFCWLK-UHFFFAOYSA-N
XLogP3.50
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 53.50
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-(diethoxymethyl)-5-[[3-(trifluoromethyl)phenyl]methyl]pyridine;5-[[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carbaldehyde;hydrochloride
CID 161426183
1-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzene
CID 122368794
2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 121010377
4-[[3-(trifluoromethyl)phenyl]methyl]benzonitrile
CID 162534916
5-(fluoromethyl)pyridine-2-carbaldehyde
CID 45079502
cyclopentyl-[2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 110263943
formaldehyde;3-[3-(trifluoromethyl)phenyl]propanal
CID 174932519
6-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridin-2-one
CID 154239731
1-fluoro-3-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 134862529
(2R)-2-fluoro-3-[3-(trifluoromethyl)phenyl]propanal
CID 70677220
cyclohexyl-[3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 110093302
2-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]ethyl N-methylcarbamate
CID 70467171

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carbaldehyde?
The IUPAC name of 5-[[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carbaldehyde (CID 157346650) is 5-[[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carbaldehyde.
What is the SMILES notation for 5-[[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carbaldehyde?
The canonical SMILES for 5-[[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carbaldehyde is O=Cc1ccc(Cc2cccc(C(F)(F)F)c2)cn1.
What is the InChIKey of 5-[[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carbaldehyde?
The InChIKey is QPKOABDBJFCWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO/c15-14(16,17)12-3-1-2-10(7-12)6-11-4-5-13(9-19)18-8-11/h1-5,7-9H,6H2.
What are the key properties of 5-[[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carbaldehyde?
5-[[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carbaldehyde has a molecular weight of 265.23 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carbaldehyde is sourced from PubChem (CID 157346650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).