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

C8H7F2NO2 — CID 118834795

IUPAC4-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carbaldehyde
SMILESCc1c[nH]c(=O)c(C=O)c1C(F)F
InChIInChI=1S/C8H7F2NO2/c1-4-2-11-8(13)5(3-12)6(4)7(9)10/h2-3,7H,1H3,(H,11,13)
InChIKeyJAENIEVAYKJIHX-UHFFFAOYSA-N
MW187.15 g/mol
LogP1.43
Rot. Bonds2

About 4-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carbaldehyde

4-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carbaldehyde (PubChem CID 118834795) has the molecular formula C8H7F2NO2 and a molecular weight of 187.15 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carbaldehyde
PubChem CID118834795
Molecular FormulaC8H7F2NO2
Molecular Weight187.15 g/mol
Exact Mass187.04
IUPAC Name4-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carbaldehyde
SMILESCc1c[nH]c(=O)c(C=O)c1C(F)F
InChIInChI=1S/C8H7F2NO2/c1-4-2-11-8(13)5(3-12)6(4)7(9)10/h2-3,7H,1H3,(H,11,13)
InChIKeyJAENIEVAYKJIHX-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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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carbaldehyde?
The IUPAC name of 4-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carbaldehyde (CID 118834795) is 4-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 4-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 4-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carbaldehyde is Cc1c[nH]c(=O)c(C=O)c1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carbaldehyde?
The InChIKey is JAENIEVAYKJIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO2/c1-4-2-11-8(13)5(3-12)6(4)7(9)10/h2-3,7H,1H3,(H,11,13).
What are the key properties of 4-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carbaldehyde?
4-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-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 4-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 118834795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).