2-(difluoromethyl)-6-oxo-1H-pyridine-4-carbaldehyde

C7H5F2NO2 — CID 130097164

IUPAC2-(difluoromethyl)-6-oxo-1H-pyridine-4-carbaldehyde
SMILESO=Cc1cc(C(F)F)[nH]c(=O)c1
InChIInChI=1S/C7H5F2NO2/c8-7(9)5-1-4(3-11)2-6(12)10-5/h1-3,7H,(H,10,12)
InChIKeyKFBVASZWMFEXNN-UHFFFAOYSA-N
MW173.12 g/mol
LogP1.12
Rot. Bonds2

About 2-(difluoromethyl)-6-oxo-1H-pyridine-4-carbaldehyde

2-(difluoromethyl)-6-oxo-1H-pyridine-4-carbaldehyde (PubChem CID 130097164) has the molecular formula C7H5F2NO2 and a molecular weight of 173.12 g/mol. Its IUPAC name is 2-(difluoromethyl)-6-oxo-1H-pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-(difluoromethyl)-6-oxo-1H-pyridine-4-carbaldehyde
PubChem CID130097164
Molecular FormulaC7H5F2NO2
Molecular Weight173.12 g/mol
Exact Mass173.03
IUPAC Name2-(difluoromethyl)-6-oxo-1H-pyridine-4-carbaldehyde
SMILESO=Cc1cc(C(F)F)[nH]c(=O)c1
InChIInChI=1S/C7H5F2NO2/c8-7(9)5-1-4(3-11)2-6(12)10-5/h1-3,7H,(H,10,12)
InChIKeyKFBVASZWMFEXNN-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

6-Methyl-4-(trifluoromethyl)pyridin-2(1H)-one
CID 2782992
2-Methyl-6-oxo-1,6-dihydropyridine-3-carbaldehyde
CID 86695785
1,2-Dihydro-2-oxo-6-(trifluoromethyl)-3-pyridinecarboxaldehyde
CID 118704032
4-Methyl-6-(trifluoromethyl)pyridin-2(1H)-one
CID 10035141
6-Hydroxy-4-(trifluoromethyl)picolinaldehyde
CID 57557587
2-Fluoro-6-hydroxyisonicotinaldehyde
CID 72212930
6-Hydroxy-5-(trifluoromethyl)picolinaldehyde
CID 105444637
6-Hydroxy-2-(trifluoromethyl)nicotinamide
CID 130953535
6-ethyl-3-(trifluoromethyl)-1H-pyridin-2-one
CID 177016566
2-(Difluoromethyl)-6-hydroxy-4-methylpyridine
CID 10103416
2-Hydroxy-6-(trifluoromethyl)isonicotinaldehyde
CID 72212955
1-[2-Hydroxy-6-(trifluoromethyl)pyridin-4-YL]ethanone
CID 72215931

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-6-oxo-1H-pyridine-4-carbaldehyde?
The IUPAC name of 2-(difluoromethyl)-6-oxo-1H-pyridine-4-carbaldehyde (CID 130097164) is 2-(difluoromethyl)-6-oxo-1H-pyridine-4-carbaldehyde.
What is the SMILES notation for 2-(difluoromethyl)-6-oxo-1H-pyridine-4-carbaldehyde?
The canonical SMILES for 2-(difluoromethyl)-6-oxo-1H-pyridine-4-carbaldehyde is O=Cc1cc(C(F)F)[nH]c(=O)c1.
What is the InChIKey of 2-(difluoromethyl)-6-oxo-1H-pyridine-4-carbaldehyde?
The InChIKey is KFBVASZWMFEXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2NO2/c8-7(9)5-1-4(3-11)2-6(12)10-5/h1-3,7H,(H,10,12).
What are the key properties of 2-(difluoromethyl)-6-oxo-1H-pyridine-4-carbaldehyde?
2-(difluoromethyl)-6-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 2-(difluoromethyl)-6-oxo-1H-pyridine-4-carbaldehyde is sourced from PubChem (CID 130097164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).