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

C7H4F3NO2 — CID 130079610

IUPAC6-(difluoromethyl)-3-fluoro-2-oxo-1H-pyridine-4-carbaldehyde
SMILESO=Cc1cc(C(F)F)[nH]c(=O)c1F
InChIInChI=1S/C7H4F3NO2/c8-5-3(2-12)1-4(6(9)10)11-7(5)13/h1-2,6H,(H,11,13)
InChIKeyKSVNVXDKTFZKEN-UHFFFAOYSA-N
MW191.11 g/mol
LogP1.26
Rot. Bonds2

About 6-(difluoromethyl)-3-fluoro-2-oxo-1H-pyridine-4-carbaldehyde

6-(difluoromethyl)-3-fluoro-2-oxo-1H-pyridine-4-carbaldehyde (PubChem CID 130079610) has the molecular formula C7H4F3NO2 and a molecular weight of 191.11 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-fluoro-2-oxo-1H-pyridine-4-carbaldehyde.

Molecular Properties

Compound Name6-(difluoromethyl)-3-fluoro-2-oxo-1H-pyridine-4-carbaldehyde
PubChem CID130079610
Molecular FormulaC7H4F3NO2
Molecular Weight191.11 g/mol
Exact Mass191.02
IUPAC Name6-(difluoromethyl)-3-fluoro-2-oxo-1H-pyridine-4-carbaldehyde
SMILESO=Cc1cc(C(F)F)[nH]c(=O)c1F
InChIInChI=1S/C7H4F3NO2/c8-5-3(2-12)1-4(6(9)10)11-7(5)13/h1-2,6H,(H,11,13)
InChIKeyKSVNVXDKTFZKEN-UHFFFAOYSA-N
XLogP1.26
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.11
LogP ≤ 51.26
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
1,2-Dihydro-2-oxo-6-(trifluoromethyl)-3-pyridinecarboxaldehyde
CID 118704032
4-Methyl-6-(trifluoromethyl)pyridin-2(1H)-one
CID 10035141
4,6-Bis(trifluoromethyl)pyridin-2(1H)-one
CID 13148079
3,6-dimethyl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 15210459
6-Hydroxy-4-(trifluoromethyl)picolinaldehyde
CID 57557587
6-Hydroxy-5-(trifluoromethyl)picolinaldehyde
CID 105444637
4,6-Dimethyl-3-(trifluoromethyl)pyridin-2-ol
CID 165595065
6-methyl-3,4-bis(trifluoromethyl)-1H-pyridin-2-one
CID 173379056
2-(Difluoromethyl)-6-hydroxy-4-methylpyridine
CID 10103416
2-Hydroxy-6-(trifluoromethyl)isonicotinaldehyde
CID 72212955
6-Hydroxy-2-(trifluoromethyl)nicotinaldehyde
CID 118704370

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-fluoro-2-oxo-1H-pyridine-4-carbaldehyde?
The IUPAC name of 6-(difluoromethyl)-3-fluoro-2-oxo-1H-pyridine-4-carbaldehyde (CID 130079610) is 6-(difluoromethyl)-3-fluoro-2-oxo-1H-pyridine-4-carbaldehyde.
What is the SMILES notation for 6-(difluoromethyl)-3-fluoro-2-oxo-1H-pyridine-4-carbaldehyde?
The canonical SMILES for 6-(difluoromethyl)-3-fluoro-2-oxo-1H-pyridine-4-carbaldehyde is O=Cc1cc(C(F)F)[nH]c(=O)c1F.
What is the InChIKey of 6-(difluoromethyl)-3-fluoro-2-oxo-1H-pyridine-4-carbaldehyde?
The InChIKey is KSVNVXDKTFZKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3NO2/c8-5-3(2-12)1-4(6(9)10)11-7(5)13/h1-2,6H,(H,11,13).
What are the key properties of 6-(difluoromethyl)-3-fluoro-2-oxo-1H-pyridine-4-carbaldehyde?
6-(difluoromethyl)-3-fluoro-2-oxo-1H-pyridine-4-carbaldehyde has a molecular weight of 191.11 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-fluoro-2-oxo-1H-pyridine-4-carbaldehyde is sourced from PubChem (CID 130079610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).