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

C8H7F2NO2 — CID 130083906

IUPAC3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-4-carbaldehyde
SMILESCc1cc(C=O)c(C(F)F)c(=O)[nH]1
InChIInChI=1S/C8H7F2NO2/c1-4-2-5(3-12)6(7(9)10)8(13)11-4/h2-3,7H,1H3,(H,11,13)
InChIKeyWFDYLWXEMRTSPG-UHFFFAOYSA-N
MW187.15 g/mol
LogP1.43
Rot. Bonds2

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

3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-4-carbaldehyde (PubChem CID 130083906) has the molecular formula C8H7F2NO2 and a molecular weight of 187.15 g/mol. Its IUPAC name is 3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-4-carbaldehyde
PubChem CID130083906
Molecular FormulaC8H7F2NO2
Molecular Weight187.15 g/mol
Exact Mass187.04
IUPAC Name3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-4-carbaldehyde
SMILESCc1cc(C=O)c(C(F)F)c(=O)[nH]1
InChIInChI=1S/C8H7F2NO2/c1-4-2-5(3-12)6(7(9)10)8(13)11-4/h2-3,7H,1H3,(H,11,13)
InChIKeyWFDYLWXEMRTSPG-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 ≤ 500187.15
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

6-Methyl-4-(trifluoromethyl)pyridin-2(1H)-one
CID 2782992
4-Methyl-6-(trifluoromethyl)pyridin-2(1H)-one
CID 10035141
4-methyl-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-2-one
CID 10105131
3,6-dimethyl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 15210459
5,6-dimethyl-3-(trifluoromethyl)-1H-pyridin-2-one
CID 18723546
6-Hydroxy-4-(trifluoromethyl)picolinaldehyde
CID 57557587
3-methyl-6-(1,1,2,2-tetrafluoroethyl)-1H-pyridin-2-one
CID 87477737
6-Hydroxy-5-(trifluoromethyl)picolinaldehyde
CID 105444637
6-propan-2-yl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106517869
3-(difluoromethyl)-5,6-diethyl-1H-pyridin-2-one
CID 123654562
N-[4-formyl-7-methyl-3-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]-2,2-dimethylpropanamide
CID 124014924
6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one;propane
CID 160211709

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-4-carbaldehyde?
The IUPAC name of 3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-4-carbaldehyde (CID 130083906) is 3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-4-carbaldehyde.
What is the SMILES notation for 3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-4-carbaldehyde?
The canonical SMILES for 3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-4-carbaldehyde is Cc1cc(C=O)c(C(F)F)c(=O)[nH]1.
What is the InChIKey of 3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-4-carbaldehyde?
The InChIKey is WFDYLWXEMRTSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO2/c1-4-2-5(3-12)6(7(9)10)8(13)11-4/h2-3,7H,1H3,(H,11,13).
What are the key properties of 3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-4-carbaldehyde?
3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-4-carbaldehyde has a molecular weight of 187.15 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 3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-4-carbaldehyde is sourced from PubChem (CID 130083906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).