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

C13H8F3NO — CID 134621665

IUPAC3-[3-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde
SMILESO=Cc1ncccc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H8F3NO/c14-13(15,16)10-4-1-3-9(7-10)11-5-2-6-17-12(11)8-18/h1-8H
InChIKeyRLSJHTLEHXUBDB-UHFFFAOYSA-N
MW251.21 g/mol
LogP3.58
Rot. Bonds2

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

3-[3-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde (PubChem CID 134621665) has the molecular formula C13H8F3NO and a molecular weight of 251.21 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde
PubChem CID134621665
Molecular FormulaC13H8F3NO
Molecular Weight251.21 g/mol
Exact Mass251.06
IUPAC Name3-[3-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde
SMILESO=Cc1ncccc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H8F3NO/c14-13(15,16)10-4-1-3-9(7-10)11-5-2-6-17-12(11)8-18/h1-8H
InChIKeyRLSJHTLEHXUBDB-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-3-[3-(trifluoromethyl)phenyl]pyridine
CID 133089697
[3-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methanol
CID 134621668
2-[3-(trifluoromethyl)phenyl]pyridin-3-ol
CID 53218025
2-fluoro-5-[3-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde
CID 133089606
methyl 3-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 134634607
4-chloro-2-[3-(trifluoromethyl)phenyl]benzaldehyde
CID 79018280
2-fluoro-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyridine
CID 133089826
3-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde
CID 88932507
1-fluoro-2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]benzene
CID 134617566
1-fluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 46311910
3-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carbaldehyde
CID 62111840
5-chloro-2,3-bis[3-(trifluoromethyl)phenyl]pyridine
CID 134617505

Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde?
The IUPAC name of 3-[3-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde (CID 134621665) is 3-[3-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde.
What is the SMILES notation for 3-[3-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde?
The canonical SMILES for 3-[3-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde is O=Cc1ncccc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[3-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde?
The InChIKey is RLSJHTLEHXUBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO/c14-13(15,16)10-4-1-3-9(7-10)11-5-2-6-17-12(11)8-18/h1-8H.
What are the key properties of 3-[3-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde?
3-[3-(trifluoromethyl)phenyl]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 3-[3-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde is sourced from PubChem (CID 134621665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).