6-(2,4-difluorophenyl)pyridine-3-carbaldehyde

C12H7F2NO — CID 24729763

IUPAC6-(2,4-difluorophenyl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(F)cc2F)nc1
InChIInChI=1S/C12H7F2NO/c13-9-2-3-10(11(14)5-9)12-4-1-8(7-16)6-15-12/h1-7H
InChIKeyHYHVHRUOLIQTPW-UHFFFAOYSA-N
MW219.19 g/mol
LogP2.84
Rot. Bonds2

About 6-(2,4-difluorophenyl)pyridine-3-carbaldehyde

6-(2,4-difluorophenyl)pyridine-3-carbaldehyde (PubChem CID 24729763) has the molecular formula C12H7F2NO and a molecular weight of 219.19 g/mol. Its IUPAC name is 6-(2,4-difluorophenyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(2,4-difluorophenyl)pyridine-3-carbaldehyde
PubChem CID24729763
Molecular FormulaC12H7F2NO
Molecular Weight219.19 g/mol
Exact Mass219.05
IUPAC Name6-(2,4-difluorophenyl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(F)cc2F)nc1
InChIInChI=1S/C12H7F2NO/c13-9-2-3-10(11(14)5-9)12-4-1-8(7-16)6-15-12/h1-7H
InChIKeyHYHVHRUOLIQTPW-UHFFFAOYSA-N
XLogP2.84
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 52.84
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 6-(2,4-difluorophenyl)pyridine-3-carbaldehyde?
The IUPAC name of 6-(2,4-difluorophenyl)pyridine-3-carbaldehyde (CID 24729763) is 6-(2,4-difluorophenyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(2,4-difluorophenyl)pyridine-3-carbaldehyde?
The canonical SMILES for 6-(2,4-difluorophenyl)pyridine-3-carbaldehyde is O=Cc1ccc(-c2ccc(F)cc2F)nc1.
What is the InChIKey of 6-(2,4-difluorophenyl)pyridine-3-carbaldehyde?
The InChIKey is HYHVHRUOLIQTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2NO/c13-9-2-3-10(11(14)5-9)12-4-1-8(7-16)6-15-12/h1-7H.
What are the key properties of 6-(2,4-difluorophenyl)pyridine-3-carbaldehyde?
6-(2,4-difluorophenyl)pyridine-3-carbaldehyde has a molecular weight of 219.19 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 24729763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).