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

C8H7F2NO2 — CID 118803579

IUPAC6-(difluoromethyl)-5-methyl-4-oxo-1H-pyridine-3-carbaldehyde
SMILESCc1c(C(F)F)[nH]cc(C=O)c1=O
InChIInChI=1S/C8H7F2NO2/c1-4-6(8(9)10)11-2-5(3-12)7(4)13/h2-3,8H,1H3,(H,11,13)
InChIKeyWXPBNXPTTCDGSZ-UHFFFAOYSA-N
MW187.15 g/mol
LogP1.43
Rot. Bonds2

About 6-(difluoromethyl)-5-methyl-4-oxo-1H-pyridine-3-carbaldehyde

6-(difluoromethyl)-5-methyl-4-oxo-1H-pyridine-3-carbaldehyde (PubChem CID 118803579) has the molecular formula C8H7F2NO2 and a molecular weight of 187.15 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-methyl-4-oxo-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(difluoromethyl)-5-methyl-4-oxo-1H-pyridine-3-carbaldehyde
PubChem CID118803579
Molecular FormulaC8H7F2NO2
Molecular Weight187.15 g/mol
Exact Mass187.04
IUPAC Name6-(difluoromethyl)-5-methyl-4-oxo-1H-pyridine-3-carbaldehyde
SMILESCc1c(C(F)F)[nH]cc(C=O)c1=O
InChIInChI=1S/C8H7F2NO2/c1-4-6(8(9)10)11-2-5(3-12)7(4)13/h2-3,8H,1H3,(H,11,13)
InChIKeyWXPBNXPTTCDGSZ-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 6-(difluoromethyl)-5-methyl-4-oxo-1H-pyridine-3-carbaldehyde?
The IUPAC name of 6-(difluoromethyl)-5-methyl-4-oxo-1H-pyridine-3-carbaldehyde (CID 118803579) is 6-(difluoromethyl)-5-methyl-4-oxo-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(difluoromethyl)-5-methyl-4-oxo-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 6-(difluoromethyl)-5-methyl-4-oxo-1H-pyridine-3-carbaldehyde is Cc1c(C(F)F)[nH]cc(C=O)c1=O.
What is the InChIKey of 6-(difluoromethyl)-5-methyl-4-oxo-1H-pyridine-3-carbaldehyde?
The InChIKey is WXPBNXPTTCDGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO2/c1-4-6(8(9)10)11-2-5(3-12)7(4)13/h2-3,8H,1H3,(H,11,13).
What are the key properties of 6-(difluoromethyl)-5-methyl-4-oxo-1H-pyridine-3-carbaldehyde?
6-(difluoromethyl)-5-methyl-4-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 6-(difluoromethyl)-5-methyl-4-oxo-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 118803579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).