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

C13H7F4NO — CID 133089617

IUPAC5-fluoro-2-[2-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde
SMILESO=Cc1cc(-c2ccccc2C(F)(F)F)ncc1F
InChIInChI=1S/C13H7F4NO/c14-11-6-18-12(5-8(11)7-19)9-3-1-2-4-10(9)13(15,16)17/h1-7H
InChIKeyOSIRURKCPGRCBD-UHFFFAOYSA-N
MW269.20 g/mol
LogP3.72
Rot. Bonds2

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

5-fluoro-2-[2-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde (PubChem CID 133089617) has the molecular formula C13H7F4NO and a molecular weight of 269.20 g/mol. Its IUPAC name is 5-fluoro-2-[2-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde.

Molecular Properties

Compound Name5-fluoro-2-[2-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde
PubChem CID133089617
Molecular FormulaC13H7F4NO
Molecular Weight269.20 g/mol
Exact Mass269.05
IUPAC Name5-fluoro-2-[2-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde
SMILESO=Cc1cc(-c2ccccc2C(F)(F)F)ncc1F
InChIInChI=1S/C13H7F4NO/c14-11-6-18-12(5-8(11)7-19)9-3-1-2-4-10(9)13(15,16)17/h1-7H
InChIKeyOSIRURKCPGRCBD-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

2-(3-chloro-2-fluorophenyl)-5-fluoropyridine-4-carbaldehyde
CID 172868911
5-fluoro-2-(2-fluoro-3-methoxyphenyl)pyridine-4-carbaldehyde
CID 172868912
4,6-bis[2-(trifluoromethyl)phenyl]pyrimidine
CID 118817860
4-[2-(trifluoromethyl)phenyl]pyrimidine-5-carbaldehyde
CID 118818673
4-methoxy-5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyridine
CID 134628438
4-chloro-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 22030043
4-ethynyl-2-[2-(trifluoromethyl)phenyl]pyridine
CID 171365545
6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 24729991
[5-amino-2-[2-(trifluoromethyl)phenyl]-4-pyridinyl]methanol
CID 134629153
5-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid
CID 146037649
3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]benzaldehyde
CID 134617334
5-fluoro-2-methoxy-4-[2-(trifluoromethyl)phenyl]pyridine
CID 133089593

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[2-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde?
The IUPAC name of 5-fluoro-2-[2-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde (CID 133089617) is 5-fluoro-2-[2-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde.
What is the SMILES notation for 5-fluoro-2-[2-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde?
The canonical SMILES for 5-fluoro-2-[2-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde is O=Cc1cc(-c2ccccc2C(F)(F)F)ncc1F.
What is the InChIKey of 5-fluoro-2-[2-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde?
The InChIKey is OSIRURKCPGRCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F4NO/c14-11-6-18-12(5-8(11)7-19)9-3-1-2-4-10(9)13(15,16)17/h1-7H.
What are the key properties of 5-fluoro-2-[2-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde?
5-fluoro-2-[2-(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 5-fluoro-2-[2-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde is sourced from PubChem (CID 133089617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).