2-fluoro-5-[3-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde

C13H7F4NO — CID 133089606

IUPAC2-fluoro-5-[3-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde
SMILESO=Cc1cc(F)ncc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H7F4NO/c14-12-5-9(7-19)11(6-18-12)8-2-1-3-10(4-8)13(15,16)17/h1-7H
InChIKeyVELLHEXFPQKLCF-UHFFFAOYSA-N
MW269.20 g/mol
LogP3.72
Rot. Bonds2

About 2-fluoro-5-[3-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde

2-fluoro-5-[3-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde (PubChem CID 133089606) has the molecular formula C13H7F4NO and a molecular weight of 269.20 g/mol. Its IUPAC name is 2-fluoro-5-[3-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-fluoro-5-[3-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde
PubChem CID133089606
Molecular FormulaC13H7F4NO
Molecular Weight269.20 g/mol
Exact Mass269.05
IUPAC Name2-fluoro-5-[3-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde
SMILESO=Cc1cc(F)ncc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H7F4NO/c14-12-5-9(7-19)11(6-18-12)8-2-1-3-10(4-8)13(15,16)17/h1-7H
InChIKeyVELLHEXFPQKLCF-UHFFFAOYSA-N
XLogP3.72
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.20
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-2-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
CID 133089648
6-fluoro-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol
CID 133091792
3-[3-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde
CID 134621665
4-chloro-2-[3-(trifluoromethyl)phenyl]benzaldehyde
CID 79018280
5-phenyl-2-(trifluoromethyl)pyridine-4-carbaldehyde
CID 133096204
2-(3-methylphenyl)-5-(trifluoromethyl)benzaldehyde
CID 172649099
2-fluoro-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyridine
CID 133089826
5-chloro-2,3-bis[3-(trifluoromethyl)phenyl]pyridine
CID 134617505
2-fluoro-3-[3-(trifluoromethyl)phenyl]pyridine
CID 133089697
5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]benzaldehyde
CID 169095272
5-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
CID 24729811
1-fluoro-2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]benzene
CID 134617566

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[3-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde?
The IUPAC name of 2-fluoro-5-[3-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde (CID 133089606) is 2-fluoro-5-[3-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde.
What is the SMILES notation for 2-fluoro-5-[3-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde?
The canonical SMILES for 2-fluoro-5-[3-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde is O=Cc1cc(F)ncc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-fluoro-5-[3-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde?
The InChIKey is VELLHEXFPQKLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F4NO/c14-12-5-9(7-19)11(6-18-12)8-2-1-3-10(4-8)13(15,16)17/h1-7H.
What are the key properties of 2-fluoro-5-[3-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde?
2-fluoro-5-[3-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde has a molecular weight of 269.20 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[3-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde is sourced from PubChem (CID 133089606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).