5-(2,3-difluorophenyl)-6-oxo-1H-pyridine-2-carbaldehyde

C12H7F2NO2 — CID 133091494

IUPAC5-(2,3-difluorophenyl)-6-oxo-1H-pyridine-2-carbaldehyde
SMILESO=Cc1ccc(-c2cccc(F)c2F)c(=O)[nH]1
InChIInChI=1S/C12H7F2NO2/c13-10-3-1-2-8(11(10)14)9-5-4-7(6-16)15-12(9)17/h1-6H,(H,15,17)
InChIKeyUOMGQORCJUWJFU-UHFFFAOYSA-N
MW235.19 g/mol
LogP2.13
Rot. Bonds2

About 5-(2,3-difluorophenyl)-6-oxo-1H-pyridine-2-carbaldehyde

5-(2,3-difluorophenyl)-6-oxo-1H-pyridine-2-carbaldehyde (PubChem CID 133091494) has the molecular formula C12H7F2NO2 and a molecular weight of 235.19 g/mol. Its IUPAC name is 5-(2,3-difluorophenyl)-6-oxo-1H-pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-(2,3-difluorophenyl)-6-oxo-1H-pyridine-2-carbaldehyde
PubChem CID133091494
Molecular FormulaC12H7F2NO2
Molecular Weight235.19 g/mol
Exact Mass235.04
IUPAC Name5-(2,3-difluorophenyl)-6-oxo-1H-pyridine-2-carbaldehyde
SMILESO=Cc1ccc(-c2cccc(F)c2F)c(=O)[nH]1
InChIInChI=1S/C12H7F2NO2/c13-10-3-1-2-8(11(10)14)9-5-4-7(6-16)15-12(9)17/h1-6H,(H,15,17)
InChIKeyUOMGQORCJUWJFU-UHFFFAOYSA-N
XLogP2.13
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.19
LogP ≤ 52.13
H-Bond Donors ≤ 51
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-(2,3-difluorophenyl)-6-oxo-1H-pyridine-2-carbaldehyde?
The IUPAC name of 5-(2,3-difluorophenyl)-6-oxo-1H-pyridine-2-carbaldehyde (CID 133091494) is 5-(2,3-difluorophenyl)-6-oxo-1H-pyridine-2-carbaldehyde.
What is the SMILES notation for 5-(2,3-difluorophenyl)-6-oxo-1H-pyridine-2-carbaldehyde?
The canonical SMILES for 5-(2,3-difluorophenyl)-6-oxo-1H-pyridine-2-carbaldehyde is O=Cc1ccc(-c2cccc(F)c2F)c(=O)[nH]1.
What is the InChIKey of 5-(2,3-difluorophenyl)-6-oxo-1H-pyridine-2-carbaldehyde?
The InChIKey is UOMGQORCJUWJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2NO2/c13-10-3-1-2-8(11(10)14)9-5-4-7(6-16)15-12(9)17/h1-6H,(H,15,17).
What are the key properties of 5-(2,3-difluorophenyl)-6-oxo-1H-pyridine-2-carbaldehyde?
5-(2,3-difluorophenyl)-6-oxo-1H-pyridine-2-carbaldehyde has a molecular weight of 235.19 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-difluorophenyl)-6-oxo-1H-pyridine-2-carbaldehyde is sourced from PubChem (CID 133091494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).