6-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carbaldehyde

C8H7F2NO2 — CID 118820604

IUPAC6-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carbaldehyde
SMILESCc1cc(C=O)c(=O)[nH]c1C(F)F
InChIInChI=1S/C8H7F2NO2/c1-4-2-5(3-12)8(13)11-6(4)7(9)10/h2-3,7H,1H3,(H,11,13)
InChIKeyPDBVQPSIODKZPS-UHFFFAOYSA-N
MW187.14 g/mol
LogP1.43
Rot. Bonds2

About 6-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carbaldehyde

6-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carbaldehyde (PubChem CID 118820604) has the molecular formula C8H7F2NO2 and a molecular weight of 187.14 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carbaldehyde
PubChem CID118820604
Molecular FormulaC8H7F2NO2
Molecular Weight187.14 g/mol
Exact Mass187.04
IUPAC Name6-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carbaldehyde
SMILESCc1cc(C=O)c(=O)[nH]c1C(F)F
InChIInChI=1S/C8H7F2NO2/c1-4-2-5(3-12)8(13)11-6(4)7(9)10/h2-3,7H,1H3,(H,11,13)
InChIKeyPDBVQPSIODKZPS-UHFFFAOYSA-N
XLogP1.43
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.14
LogP ≤ 51.43
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

1,2-Dihydro-2-oxo-6-(trifluoromethyl)-3-pyridinecarboxaldehyde
CID 118704032
5,6-dimethyl-3-(trifluoromethyl)-1H-pyridin-2-one
CID 18723546
6-Hydroxy-4-(trifluoromethyl)picolinaldehyde
CID 57557587
3-(difluoromethyl)-5,6-diethyl-1H-pyridin-2-one
CID 123654562
5-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464923
6,6-Difluoro-2-oxo-1,5,7,8-tetrahydroquinoline-3-carbaldehyde
CID 170632246
6-ethyl-3-(trifluoromethyl)-1H-pyridin-2-one
CID 177016566
4-chloro-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carbaldehyde;methoxyethane
CID 177238847
5-(hydroxymethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbaldehyde
CID 178834487
6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 251011
6-ethyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 11096518
2-Hydroxy-6-(trifluoromethyl)isonicotinaldehyde
CID 72212955

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carbaldehyde?
The IUPAC name of 6-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carbaldehyde (CID 118820604) is 6-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 6-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carbaldehyde is Cc1cc(C=O)c(=O)[nH]c1C(F)F.
What is the InChIKey of 6-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carbaldehyde?
The InChIKey is PDBVQPSIODKZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO2/c1-4-2-5(3-12)8(13)11-6(4)7(9)10/h2-3,7H,1H3,(H,11,13).
What are the key properties of 6-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carbaldehyde?
6-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carbaldehyde has a molecular weight of 187.14 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 118820604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).