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

C13H8F3NO — CID 24729811

IUPAC5-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
SMILESO=Cc1cncc(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C13H8F3NO/c14-13(15,16)12-3-1-2-10(5-12)11-4-9(8-18)6-17-7-11/h1-8H
InChIKeyRLILRIUIWJFNCB-UHFFFAOYSA-N
MW251.21 g/mol
LogP3.58
Rot. Bonds2

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

5-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde (PubChem CID 24729811) has the molecular formula C13H8F3NO and a molecular weight of 251.21 g/mol. Its IUPAC name is 5-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
PubChem CID24729811
Molecular FormulaC13H8F3NO
Molecular Weight251.21 g/mol
Exact Mass251.06
IUPAC Name5-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
SMILESO=Cc1cncc(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C13H8F3NO/c14-13(15,16)12-3-1-2-10(5-12)11-4-9(8-18)6-17-7-11/h1-8H
InChIKeyRLILRIUIWJFNCB-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

ethane;propane-2-thiol;5-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
CID 143531112
5-[2-methyl-4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
CID 102755517
[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methanol
CID 24729851
3-(3-methylphenyl)-5-(trifluoromethyl)pyridine
CID 59578611
3-(5-hydroxy-3-pyridinyl)benzaldehyde
CID 53217527
3-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carbaldehyde
CID 62111840
3-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 122476067
5-(4-aminophenyl)pyridine-3-carbaldehyde
CID 87406036
N-methyl-N-[[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]ethanamine
CID 46044426
2-fluoro-5-[3-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde
CID 133089606
3-[3-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde
CID 134621665
3-[2-chloro-4-(trifluoromethyl)phenyl]benzaldehyde
CID 173112639

Frequently Asked Questions

What is the IUPAC name of 5-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde?
The IUPAC name of 5-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde (CID 24729811) is 5-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde.
What is the SMILES notation for 5-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde?
The canonical SMILES for 5-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde is O=Cc1cncc(-c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 5-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde?
The InChIKey is RLILRIUIWJFNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO/c14-13(15,16)12-3-1-2-10(5-12)11-4-9(8-18)6-17-7-11/h1-8H.
What are the key properties of 5-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde?
5-[3-(trifluoromethyl)phenyl]pyridine-3-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-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde is sourced from PubChem (CID 24729811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).