3-[2-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde

C13H8F3NO2 — CID 134621239

IUPAC3-[2-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde
SMILESO=Cc1ccncc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H8F3NO2/c14-13(15,16)19-12-4-2-1-3-10(12)11-7-17-6-5-9(11)8-18/h1-8H
InChIKeyLCAHJRLSUWWFKG-UHFFFAOYSA-N
MW267.21 g/mol
LogP3.46
Rot. Bonds3

About 3-[2-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde

3-[2-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde (PubChem CID 134621239) has the molecular formula C13H8F3NO2 and a molecular weight of 267.21 g/mol. Its IUPAC name is 3-[2-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-[2-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde
PubChem CID134621239
Molecular FormulaC13H8F3NO2
Molecular Weight267.21 g/mol
Exact Mass267.05
IUPAC Name3-[2-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde
SMILESO=Cc1ccncc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H8F3NO2/c14-13(15,16)19-12-4-2-1-3-10(12)11-7-17-6-5-9(11)8-18/h1-8H
InChIKeyLCAHJRLSUWWFKG-UHFFFAOYSA-N
XLogP3.46
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde
CID 134626254
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
3,4,5-tris[2-(trifluoromethoxy)phenyl]pyridine
CID 134622953
2-methoxy-3-[2-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde
CID 134620613
4-methoxy-3,5-bis[2-(trifluoromethoxy)phenyl]pyridine
CID 134623318
2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine-3-carbaldehyde
CID 118819307
4-bromo-5-[2-(trifluoromethoxy)phenyl]pyrimidine
CID 105370928
3-[2-(trifluoromethoxy)phenyl]thiophene-2-carbaldehyde
CID 168654704
6-chloro-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde
CID 134630932
3-fluoro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde
CID 131871409
2,3-dichloro-4-[2-(trifluoromethoxy)phenyl]pyridine
CID 119003076
3-pyridin-4-ylpyridine-4-carbaldehyde
CID 46316056

Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde?
The IUPAC name of 3-[2-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde (CID 134621239) is 3-[2-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde.
What is the SMILES notation for 3-[2-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde?
The canonical SMILES for 3-[2-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde is O=Cc1ccncc1-c1ccccc1OC(F)(F)F.
What is the InChIKey of 3-[2-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde?
The InChIKey is LCAHJRLSUWWFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO2/c14-13(15,16)19-12-4-2-1-3-10(12)11-7-17-6-5-9(11)8-18/h1-8H.
What are the key properties of 3-[2-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde?
3-[2-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde has a molecular weight of 267.21 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde is sourced from PubChem (CID 134621239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).