4-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde

C7H5F2NO2 — CID 118840828

IUPAC4-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
SMILESO=Cc1c(C(F)F)cc[nH]c1=O
InChIInChI=1S/C7H5F2NO2/c8-6(9)4-1-2-10-7(12)5(4)3-11/h1-3,6H,(H,10,12)
InChIKeyOSCYRKXENKQXHH-UHFFFAOYSA-N
MW173.12 g/mol
LogP1.12
Rot. Bonds2

About 4-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde

4-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde (PubChem CID 118840828) has the molecular formula C7H5F2NO2 and a molecular weight of 173.12 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
PubChem CID118840828
Molecular FormulaC7H5F2NO2
Molecular Weight173.12 g/mol
Exact Mass173.03
IUPAC Name4-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
SMILESO=Cc1c(C(F)F)cc[nH]c1=O
InChIInChI=1S/C7H5F2NO2/c8-6(9)4-1-2-10-7(12)5(4)3-11/h1-3,6H,(H,10,12)
InChIKeyOSCYRKXENKQXHH-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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Related Compounds

2-Oxo-1,2-dihydropyridine-3-carbaldehyde
CID 7062196
2-Hydroxy-4-(trifluoromethyl)nicotinamide
CID 542065
1-(Difluoromethyl)-2-oxo-1,2-dihydropyridine-3-carbaldehyde
CID 91647596
2-Hydroxy-5-(trifluoromethyl)nicotinaldehyde
CID 19819669
2-Hydroxy-4-(trifluoromethyl)nicotinaldehyde
CID 53924800
5-Fluoro-2-oxo-1,2-dihydropyridine-3-carbaldehyde
CID 55300276
2(1H)-Pyridinone, 3-methyl-4-(trifluoromethyl)-
CID 91570070
5-(fluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 123602649
3-fluoro-2-oxo-1H-pyridine-4-carbaldehyde
CID 129917455
6-Hydroxy-5-(trifluoromethyl)nicotinaldehyde
CID 133096368
4-(Trifluoromethyl)-1,2-dihydropyridine-3-carboxamide
CID 137376954
3,5-difluoro-2-oxo-1H-pyridine-4-carbaldehyde
CID 141337902

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde?
The IUPAC name of 4-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde (CID 118840828) is 4-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 4-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 4-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde is O=Cc1c(C(F)F)cc[nH]c1=O.
What is the InChIKey of 4-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde?
The InChIKey is OSCYRKXENKQXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2NO2/c8-6(9)4-1-2-10-7(12)5(4)3-11/h1-3,6H,(H,10,12).
What are the key properties of 4-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde?
4-(difluoromethyl)-2-oxo-1H-pyridine-3-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 4-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 118840828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).