4-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde

C13H8F3NO — CID 82382595

IUPAC4-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
SMILESO=Cc1cnccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H8F3NO/c14-13(15,16)11-3-1-9(2-4-11)12-5-6-17-7-10(12)8-18/h1-8H
InChIKeyKYTMIHFMZZUEMY-UHFFFAOYSA-N
MW251.21 g/mol
LogP3.58
Rot. Bonds2

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

4-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde (PubChem CID 82382595) has the molecular formula C13H8F3NO and a molecular weight of 251.21 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
PubChem CID82382595
Molecular FormulaC13H8F3NO
Molecular Weight251.21 g/mol
Exact Mass251.06
IUPAC Name4-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
SMILESO=Cc1cnccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H8F3NO/c14-13(15,16)11-3-1-9(2-4-11)12-5-6-17-7-10(12)8-18/h1-8H
InChIKeyKYTMIHFMZZUEMY-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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Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde?
The IUPAC name of 4-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde (CID 82382595) is 4-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde.
What is the SMILES notation for 4-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde?
The canonical SMILES for 4-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde is O=Cc1cnccc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde?
The InChIKey is KYTMIHFMZZUEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO/c14-13(15,16)11-3-1-9(2-4-11)12-5-6-17-7-10(12)8-18/h1-8H.
What are the key properties of 4-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde?
4-[4-(trifluoromethyl)phenyl]pyridine-3-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 4-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde is sourced from PubChem (CID 82382595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).