6-bromo-5-fluoropyridine-2-carbaldehyde

C6H3BrFNO — CID 22149556

IUPAC6-bromo-5-fluoropyridine-2-carbaldehyde
SMILESO=Cc1ccc(F)c(Br)n1
InChIInChI=1S/C6H3BrFNO/c7-6-5(8)2-1-4(3-10)9-6/h1-3H
InChIKeyXLMMMQPNBKSQBF-UHFFFAOYSA-N
MW204.00 g/mol
LogP1.80
Rot. Bonds1

About 6-bromo-5-fluoropyridine-2-carbaldehyde

6-bromo-5-fluoropyridine-2-carbaldehyde (PubChem CID 22149556) has the molecular formula C6H3BrFNO and a molecular weight of 204.00 g/mol. Its IUPAC name is 6-bromo-5-fluoropyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-bromo-5-fluoropyridine-2-carbaldehyde
PubChem CID22149556
Molecular FormulaC6H3BrFNO
Molecular Weight204.00 g/mol
Exact Mass202.94
IUPAC Name6-bromo-5-fluoropyridine-2-carbaldehyde
SMILESO=Cc1ccc(F)c(Br)n1
InChIInChI=1S/C6H3BrFNO/c7-6-5(8)2-1-4(3-10)9-6/h1-3H
InChIKeyXLMMMQPNBKSQBF-UHFFFAOYSA-N
XLogP1.80
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.00
LogP ≤ 51.80
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-fluoropyridine-2-carbaldehyde?
The IUPAC name of 6-bromo-5-fluoropyridine-2-carbaldehyde (CID 22149556) is 6-bromo-5-fluoropyridine-2-carbaldehyde.
What is the SMILES notation for 6-bromo-5-fluoropyridine-2-carbaldehyde?
The canonical SMILES for 6-bromo-5-fluoropyridine-2-carbaldehyde is O=Cc1ccc(F)c(Br)n1.
What is the InChIKey of 6-bromo-5-fluoropyridine-2-carbaldehyde?
The InChIKey is XLMMMQPNBKSQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrFNO/c7-6-5(8)2-1-4(3-10)9-6/h1-3H.
What are the key properties of 6-bromo-5-fluoropyridine-2-carbaldehyde?
6-bromo-5-fluoropyridine-2-carbaldehyde has a molecular weight of 204.00 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-fluoropyridine-2-carbaldehyde is sourced from PubChem (CID 22149556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).