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

C7H4BrF2NO2 — CID 130110402

IUPAC5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde
SMILESO=Cc1[nH]c(=O)c(Br)cc1C(F)F
InChIInChI=1S/C7H4BrF2NO2/c8-4-1-3(6(9)10)5(2-12)11-7(4)13/h1-2,6H,(H,11,13)
InChIKeyQGGMCXMHVVGUSB-UHFFFAOYSA-N
MW252.01 g/mol
LogP1.89
Rot. Bonds2

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

5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde (PubChem CID 130110402) has the molecular formula C7H4BrF2NO2 and a molecular weight of 252.01 g/mol. Its IUPAC name is 5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde
PubChem CID130110402
Molecular FormulaC7H4BrF2NO2
Molecular Weight252.01 g/mol
Exact Mass250.94
IUPAC Name5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde
SMILESO=Cc1[nH]c(=O)c(Br)cc1C(F)F
InChIInChI=1S/C7H4BrF2NO2/c8-4-1-3(6(9)10)5(2-12)11-7(4)13/h1-2,6H,(H,11,13)
InChIKeyQGGMCXMHVVGUSB-UHFFFAOYSA-N
XLogP1.89
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.01
LogP ≤ 51.89
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 5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde?
The IUPAC name of 5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde (CID 130110402) is 5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde.
What is the SMILES notation for 5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde?
The canonical SMILES for 5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde is O=Cc1[nH]c(=O)c(Br)cc1C(F)F.
What is the InChIKey of 5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde?
The InChIKey is QGGMCXMHVVGUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF2NO2/c8-4-1-3(6(9)10)5(2-12)11-7(4)13/h1-2,6H,(H,11,13).
What are the key properties of 5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde?
5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde has a molecular weight of 252.01 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde is sourced from PubChem (CID 130110402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).