6-bromo-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde

C6H3BrFNO2 — CID 126455301

IUPAC6-bromo-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde
SMILESO=Cc1cc(F)c(Br)[nH]c1=O
InChIInChI=1S/C6H3BrFNO2/c7-5-4(8)1-3(2-10)6(11)9-5/h1-2H,(H,9,11)
InChIKeyVDBYTYQTTBZIAG-UHFFFAOYSA-N
MW220.00 g/mol
LogP1.09
Rot. Bonds1

About 6-bromo-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde

6-bromo-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde (PubChem CID 126455301) has the molecular formula C6H3BrFNO2 and a molecular weight of 220.00 g/mol. Its IUPAC name is 6-bromo-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-bromo-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde
PubChem CID126455301
Molecular FormulaC6H3BrFNO2
Molecular Weight220.00 g/mol
Exact Mass218.93
IUPAC Name6-bromo-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde
SMILESO=Cc1cc(F)c(Br)[nH]c1=O
InChIInChI=1S/C6H3BrFNO2/c7-5-4(8)1-3(2-10)6(11)9-5/h1-2H,(H,9,11)
InChIKeyVDBYTYQTTBZIAG-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-Fluoro-2-hydroxynicotinaldehyde
CID 130781615
6-Bromo-5-(difluoromethyl)-2-hydroxynicotinaldehyde
CID 118995701
6-bromo-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 130110383
6-Bromo-2-hydroxynicotinaldehyde
CID 72218122

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde?
The IUPAC name of 6-bromo-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde (CID 126455301) is 6-bromo-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 6-bromo-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 6-bromo-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde is O=Cc1cc(F)c(Br)[nH]c1=O.
What is the InChIKey of 6-bromo-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde?
The InChIKey is VDBYTYQTTBZIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrFNO2/c7-5-4(8)1-3(2-10)6(11)9-5/h1-2H,(H,9,11).
What are the key properties of 6-bromo-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde?
6-bromo-5-fluoro-2-oxo-1H-pyridine-3-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 6-bromo-5-fluoro-2-oxo-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 126455301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).