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

C14H10F3NO — CID 102755517

IUPAC5-[2-methyl-4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
SMILESCc1cc(C(F)(F)F)ccc1-c1cncc(C=O)c1
InChIInChI=1S/C14H10F3NO/c1-9-4-12(14(15,16)17)2-3-13(9)11-5-10(8-19)6-18-7-11/h2-8H,1H3
InChIKeyPEXRZECHYIQSOZ-UHFFFAOYSA-N
MW265.23 g/mol
LogP3.89
Rot. Bonds2

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

5-[2-methyl-4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde (PubChem CID 102755517) has the molecular formula C14H10F3NO and a molecular weight of 265.23 g/mol. Its IUPAC name is 5-[2-methyl-4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-[2-methyl-4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
PubChem CID102755517
Molecular FormulaC14H10F3NO
Molecular Weight265.23 g/mol
Exact Mass265.07
IUPAC Name5-[2-methyl-4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
SMILESCc1cc(C(F)(F)F)ccc1-c1cncc(C=O)c1
InChIInChI=1S/C14H10F3NO/c1-9-4-12(14(15,16)17)2-3-13(9)11-5-10(8-19)6-18-7-11/h2-8H,1H3
InChIKeyPEXRZECHYIQSOZ-UHFFFAOYSA-N
XLogP3.89
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 53.89
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 5-[2-methyl-4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde?
The IUPAC name of 5-[2-methyl-4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde (CID 102755517) is 5-[2-methyl-4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde.
What is the SMILES notation for 5-[2-methyl-4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde?
The canonical SMILES for 5-[2-methyl-4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde is Cc1cc(C(F)(F)F)ccc1-c1cncc(C=O)c1.
What is the InChIKey of 5-[2-methyl-4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde?
The InChIKey is PEXRZECHYIQSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO/c1-9-4-12(14(15,16)17)2-3-13(9)11-5-10(8-19)6-18-7-11/h2-8H,1H3.
What are the key properties of 5-[2-methyl-4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde?
5-[2-methyl-4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde has a molecular weight of 265.23 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methyl-4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde is sourced from PubChem (CID 102755517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).