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

C8H7F2NO2 — CID 130083912

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

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

3-(difluoromethyl)-6-methyl-4-oxo-1H-pyridine-2-carbaldehyde (PubChem CID 130083912) has the molecular formula C8H7F2NO2 and a molecular weight of 187.15 g/mol. Its IUPAC name is 3-(difluoromethyl)-6-methyl-4-oxo-1H-pyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-(difluoromethyl)-6-methyl-4-oxo-1H-pyridine-2-carbaldehyde
PubChem CID130083912
Molecular FormulaC8H7F2NO2
Molecular Weight187.15 g/mol
Exact Mass187.04
IUPAC Name3-(difluoromethyl)-6-methyl-4-oxo-1H-pyridine-2-carbaldehyde
SMILESCc1cc(=O)c(C(F)F)c(C=O)[nH]1
InChIInChI=1S/C8H7F2NO2/c1-4-2-6(13)7(8(9)10)5(3-12)11-4/h2-3,8H,1H3,(H,11,13)
InChIKeyNNATWUQBRMKQQA-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-6-methyl-4-oxo-1H-pyridine-2-carbaldehyde?
The IUPAC name of 3-(difluoromethyl)-6-methyl-4-oxo-1H-pyridine-2-carbaldehyde (CID 130083912) is 3-(difluoromethyl)-6-methyl-4-oxo-1H-pyridine-2-carbaldehyde.
What is the SMILES notation for 3-(difluoromethyl)-6-methyl-4-oxo-1H-pyridine-2-carbaldehyde?
The canonical SMILES for 3-(difluoromethyl)-6-methyl-4-oxo-1H-pyridine-2-carbaldehyde is Cc1cc(=O)c(C(F)F)c(C=O)[nH]1.
What is the InChIKey of 3-(difluoromethyl)-6-methyl-4-oxo-1H-pyridine-2-carbaldehyde?
The InChIKey is NNATWUQBRMKQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO2/c1-4-2-6(13)7(8(9)10)5(3-12)11-4/h2-3,8H,1H3,(H,11,13).
What are the key properties of 3-(difluoromethyl)-6-methyl-4-oxo-1H-pyridine-2-carbaldehyde?
3-(difluoromethyl)-6-methyl-4-oxo-1H-pyridine-2-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-4-oxo-1H-pyridine-2-carbaldehyde is sourced from PubChem (CID 130083912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).