5-bromo-4-fluoro-6-oxo-1H-pyridine-2-carbaldehyde

C6H3BrFNO2 — CID 139387242

IUPAC5-bromo-4-fluoro-6-oxo-1H-pyridine-2-carbaldehyde
SMILESO=Cc1cc(F)c(Br)c(=O)[nH]1
InChIInChI=1S/C6H3BrFNO2/c7-5-4(8)1-3(2-10)9-6(5)11/h1-2H,(H,9,11)
InChIKeyIHPRWGLXZCCSTJ-UHFFFAOYSA-N
MW220.00 g/mol
LogP1.09
Rot. Bonds1

About 5-bromo-4-fluoro-6-oxo-1H-pyridine-2-carbaldehyde

5-bromo-4-fluoro-6-oxo-1H-pyridine-2-carbaldehyde (PubChem CID 139387242) has the molecular formula C6H3BrFNO2 and a molecular weight of 220.00 g/mol. Its IUPAC name is 5-bromo-4-fluoro-6-oxo-1H-pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-bromo-4-fluoro-6-oxo-1H-pyridine-2-carbaldehyde
PubChem CID139387242
Molecular FormulaC6H3BrFNO2
Molecular Weight220.00 g/mol
Exact Mass218.93
IUPAC Name5-bromo-4-fluoro-6-oxo-1H-pyridine-2-carbaldehyde
SMILESO=Cc1cc(F)c(Br)c(=O)[nH]1
InChIInChI=1S/C6H3BrFNO2/c7-5-4(8)1-3(2-10)9-6(5)11/h1-2H,(H,9,11)
InChIKeyIHPRWGLXZCCSTJ-UHFFFAOYSA-N
XLogP1.09
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.00
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-Fluoro-6-hydroxypicolinaldehyde
CID 123319896
4-Fluoro-6-hydroxypicolinaldehyde
CID 72215444
4-Bromo-5-(difluoromethyl)-6-hydroxypicolinaldehyde
CID 118834575
5-bromo-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde
CID 130110396
3-bromo-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde
CID 130110405
4-Bromo-6-hydroxypyridine-2-carbaldehyde
CID 72215454
3-Bromo-6-oxo-1,6-dihydropyridine-2-carbaldehyde
CID 77231205
5-Bromo-6-hydroxypicolinaldehyde
CID 105454038

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-6-oxo-1H-pyridine-2-carbaldehyde?
The IUPAC name of 5-bromo-4-fluoro-6-oxo-1H-pyridine-2-carbaldehyde (CID 139387242) is 5-bromo-4-fluoro-6-oxo-1H-pyridine-2-carbaldehyde.
What is the SMILES notation for 5-bromo-4-fluoro-6-oxo-1H-pyridine-2-carbaldehyde?
The canonical SMILES for 5-bromo-4-fluoro-6-oxo-1H-pyridine-2-carbaldehyde is O=Cc1cc(F)c(Br)c(=O)[nH]1.
What is the InChIKey of 5-bromo-4-fluoro-6-oxo-1H-pyridine-2-carbaldehyde?
The InChIKey is IHPRWGLXZCCSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrFNO2/c7-5-4(8)1-3(2-10)9-6(5)11/h1-2H,(H,9,11).
What are the key properties of 5-bromo-4-fluoro-6-oxo-1H-pyridine-2-carbaldehyde?
5-bromo-4-fluoro-6-oxo-1H-pyridine-2-carbaldehyde has a molecular weight of 220.00 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-6-oxo-1H-pyridine-2-carbaldehyde is sourced from PubChem (CID 139387242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).