3-bromo-6-oxo-1H-pyridine-2-carbaldehyde

C6H4BrNO2 — CID 77231205

IUPAC3-bromo-6-oxo-1H-pyridine-2-carbaldehyde
SMILESO=Cc1[nH]c(=O)ccc1Br
InChIInChI=1S/C6H4BrNO2/c7-4-1-2-6(10)8-5(4)3-9/h1-3H,(H,8,10)
InChIKeyFIURGVMDHRUKGM-UHFFFAOYSA-N
MW202.01 g/mol
LogP0.95
Rot. Bonds1

About 3-bromo-6-oxo-1H-pyridine-2-carbaldehyde

3-bromo-6-oxo-1H-pyridine-2-carbaldehyde (PubChem CID 77231205) has the molecular formula C6H4BrNO2 and a molecular weight of 202.01 g/mol. Its IUPAC name is 3-bromo-6-oxo-1H-pyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-bromo-6-oxo-1H-pyridine-2-carbaldehyde
PubChem CID77231205
Molecular FormulaC6H4BrNO2
Molecular Weight202.01 g/mol
Exact Mass200.94
IUPAC Name3-bromo-6-oxo-1H-pyridine-2-carbaldehyde
SMILESO=Cc1[nH]c(=O)ccc1Br
InChIInChI=1S/C6H4BrNO2/c7-4-1-2-6(10)8-5(4)3-9/h1-3H,(H,8,10)
InChIKeyFIURGVMDHRUKGM-UHFFFAOYSA-N
XLogP0.95
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.01
LogP ≤ 50.95
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 3-bromo-6-oxo-1H-pyridine-2-carbaldehyde?
The IUPAC name of 3-bromo-6-oxo-1H-pyridine-2-carbaldehyde (CID 77231205) is 3-bromo-6-oxo-1H-pyridine-2-carbaldehyde.
What is the SMILES notation for 3-bromo-6-oxo-1H-pyridine-2-carbaldehyde?
The canonical SMILES for 3-bromo-6-oxo-1H-pyridine-2-carbaldehyde is O=Cc1[nH]c(=O)ccc1Br.
What is the InChIKey of 3-bromo-6-oxo-1H-pyridine-2-carbaldehyde?
The InChIKey is FIURGVMDHRUKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrNO2/c7-4-1-2-6(10)8-5(4)3-9/h1-3H,(H,8,10).
What are the key properties of 3-bromo-6-oxo-1H-pyridine-2-carbaldehyde?
3-bromo-6-oxo-1H-pyridine-2-carbaldehyde has a molecular weight of 202.01 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-oxo-1H-pyridine-2-carbaldehyde is sourced from PubChem (CID 77231205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).