5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbaldehyde

C7H5F2NO2 — CID 130097176

IUPAC5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbaldehyde
SMILESO=Cc1cc(=O)[nH]cc1C(F)F
InChIInChI=1S/C7H5F2NO2/c8-7(9)5-2-10-6(12)1-4(5)3-11/h1-3,7H,(H,10,12)
InChIKeyXBSKXHMILORGLP-UHFFFAOYSA-N
MW173.12 g/mol
LogP1.12
Rot. Bonds2

About 5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbaldehyde

5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbaldehyde (PubChem CID 130097176) has the molecular formula C7H5F2NO2 and a molecular weight of 173.12 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbaldehyde.

Molecular Properties

Compound Name5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbaldehyde
PubChem CID130097176
Molecular FormulaC7H5F2NO2
Molecular Weight173.12 g/mol
Exact Mass173.03
IUPAC Name5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbaldehyde
SMILESO=Cc1cc(=O)[nH]cc1C(F)F
InChIInChI=1S/C7H5F2NO2/c8-7(9)5-2-10-6(12)1-4(5)3-11/h1-3,7H,(H,10,12)
InChIKeyXBSKXHMILORGLP-UHFFFAOYSA-N
XLogP1.12
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.12
LogP ≤ 51.12
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-(difluoromethyl)-2-oxo-1H-pyridine-4-carbaldehyde?
The IUPAC name of 5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbaldehyde (CID 130097176) is 5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbaldehyde.
What is the SMILES notation for 5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbaldehyde?
The canonical SMILES for 5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbaldehyde is O=Cc1cc(=O)[nH]cc1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbaldehyde?
The InChIKey is XBSKXHMILORGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2NO2/c8-7(9)5-2-10-6(12)1-4(5)3-11/h1-3,7H,(H,10,12).
What are the key properties of 5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbaldehyde?
5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbaldehyde has a molecular weight of 173.12 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbaldehyde is sourced from PubChem (CID 130097176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).