3-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde

C13H7F4NO — CID 131869828

IUPAC3-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde
SMILESO=Cc1ncc(C(F)(F)F)cc1-c1ccc(F)cc1
InChIInChI=1S/C13H7F4NO/c14-10-3-1-8(2-4-10)11-5-9(13(15,16)17)6-18-12(11)7-19/h1-7H
InChIKeyLLXTVLADRSSKOY-UHFFFAOYSA-N
MW269.20 g/mol
LogP3.72
Rot. Bonds2

About 3-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde

3-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde (PubChem CID 131869828) has the molecular formula C13H7F4NO and a molecular weight of 269.20 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde
PubChem CID131869828
Molecular FormulaC13H7F4NO
Molecular Weight269.20 g/mol
Exact Mass269.05
IUPAC Name3-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde
SMILESO=Cc1ncc(C(F)(F)F)cc1-c1ccc(F)cc1
InChIInChI=1S/C13H7F4NO/c14-10-3-1-8(2-4-10)11-5-9(13(15,16)17)6-18-12(11)7-19/h1-7H
InChIKeyLLXTVLADRSSKOY-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': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 134621675
3,5-bis(trifluoromethyl)pyridine-2-carbaldehyde
CID 131282107
3-chloro-5-[4-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde
CID 134626315
3-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 46312797
3-chloro-6-(4-fluorophenyl)-4-[4-(trifluoromethyl)phenyl]pyridazine
CID 142779110
2-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
CID 71277568
5-fluoro-3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde
CID 133089187
2-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carbaldehyde
CID 172913846
2-chloro-3-(3-fluorophenyl)-5-(trifluoromethyl)pyridine
CID 46312062
4-[2-fluoro-5-(trifluoromethyl)phenyl]benzaldehyde
CID 83810230
6-amino-5-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
CID 87405942
3-[3-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde
CID 134621665

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde?
The IUPAC name of 3-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde (CID 131869828) is 3-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 3-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde?
The canonical SMILES for 3-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde is O=Cc1ncc(C(F)(F)F)cc1-c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde?
The InChIKey is LLXTVLADRSSKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F4NO/c14-10-3-1-8(2-4-10)11-5-9(13(15,16)17)6-18-12(11)7-19/h1-7H.
What are the key properties of 3-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde?
3-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-2-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 3-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 131869828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).