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

C7H5F2NO2 — CID 130097165

IUPAC6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
SMILESO=Cc1ccc(C(F)F)[nH]c1=O
InChIInChI=1S/C7H5F2NO2/c8-6(9)5-2-1-4(3-11)7(12)10-5/h1-3,6H,(H,10,12)
InChIKeyZUAWSBNGEQCWEX-UHFFFAOYSA-N
MW173.12 g/mol
LogP1.12
Rot. Bonds2

About 6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde

6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde (PubChem CID 130097165) has the molecular formula C7H5F2NO2 and a molecular weight of 173.12 g/mol. Its IUPAC name is 6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
PubChem CID130097165
Molecular FormulaC7H5F2NO2
Molecular Weight173.12 g/mol
Exact Mass173.03
IUPAC Name6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
SMILESO=Cc1ccc(C(F)F)[nH]c1=O
InChIInChI=1S/C7H5F2NO2/c8-6(9)5-2-1-4(3-11)7(12)10-5/h1-3,6H,(H,10,12)
InChIKeyZUAWSBNGEQCWEX-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-Hydroxy-6-(trifluoromethyl)nicotinamide
CID 2775114
2-Hydroxy-6-methylpyridine-3-carbaldehyde
CID 12722462
1,2-Dihydro-2-oxo-6-(trifluoromethyl)-3-pyridinecarboxaldehyde
CID 118704032
2(1H)-Pyridinone, 6-methyl-3-(trifluoromethyl)-
CID 20767670
6-(Difluoromethyl)-2-hydroxypyridine-3-carboxamide
CID 59828229
6-Hydroxy-5-(trifluoromethyl)picolinaldehyde
CID 105444637
6-Fluoro-2-hydroxynicotinaldehyde
CID 130781615
6-methyl-3-(trifluoromethyl)-1H-pyridin-1-ium-2-one
CID 163718252
2-Hydroxy-6-(trifluoromethyl)isonicotinaldehyde
CID 72212955
4-Amino-5-(difluoromethyl)-6-hydroxypicolinaldehyde
CID 118800770
4-Amino-6-(difluoromethyl)-2-hydroxynicotinamide
CID 118800901
4-(Difluoromethyl)-2-hydroxy-6-(trifluoromethyl)nicotinaldehyde
CID 118812457

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde?
The IUPAC name of 6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde (CID 130097165) is 6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde is O=Cc1ccc(C(F)F)[nH]c1=O.
What is the InChIKey of 6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde?
The InChIKey is ZUAWSBNGEQCWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2NO2/c8-6(9)5-2-1-4(3-11)7(12)10-5/h1-3,6H,(H,10,12).
What are the key properties of 6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde?
6-(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 6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 130097165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).