2-(2,3-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carbaldehyde

C13H6F5NO — CID 118813601

IUPAC2-(2,3-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESO=Cc1c(C(F)(F)F)ccnc1-c1cccc(F)c1F
InChIInChI=1S/C13H6F5NO/c14-10-3-1-2-7(11(10)15)12-8(6-20)9(4-5-19-12)13(16,17)18/h1-6H
InChIKeyDNDYXKJVZXBNNH-UHFFFAOYSA-N
MW287.19 g/mol
LogP3.86
Rot. Bonds2

About 2-(2,3-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carbaldehyde

2-(2,3-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carbaldehyde (PubChem CID 118813601) has the molecular formula C13H6F5NO and a molecular weight of 287.19 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carbaldehyde
PubChem CID118813601
Molecular FormulaC13H6F5NO
Molecular Weight287.19 g/mol
Exact Mass287.04
IUPAC Name2-(2,3-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESO=Cc1c(C(F)(F)F)ccnc1-c1cccc(F)c1F
InChIInChI=1S/C13H6F5NO/c14-10-3-1-2-7(11(10)15)12-8(6-20)9(4-5-19-12)13(16,17)18/h1-6H
InChIKeyDNDYXKJVZXBNNH-UHFFFAOYSA-N
XLogP3.86
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 53.86
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 2-(2,3-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carbaldehyde?
The IUPAC name of 2-(2,3-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carbaldehyde (CID 118813601) is 2-(2,3-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(2,3-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-(2,3-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carbaldehyde is O=Cc1c(C(F)(F)F)ccnc1-c1cccc(F)c1F.
What is the InChIKey of 2-(2,3-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carbaldehyde?
The InChIKey is DNDYXKJVZXBNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F5NO/c14-10-3-1-2-7(11(10)15)12-8(6-20)9(4-5-19-12)13(16,17)18/h1-6H.
What are the key properties of 2-(2,3-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carbaldehyde?
2-(2,3-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carbaldehyde has a molecular weight of 287.19 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 118813601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).