5-bromo-2-fluoropyridine-3-carboxylic acid

C6H3BrFNO2 — CID 24721371

IUPAC5-bromo-2-fluoropyridine-3-carboxylic acid
SMILESO=C(O)c1cc(Br)cnc1F
InChIInChI=1S/C6H3BrFNO2/c7-3-1-4(6(10)11)5(8)9-2-3/h1-2H,(H,10,11)
InChIKeyVUGXRWXIIOSMCF-UHFFFAOYSA-N
MW220.00 g/mol
LogP1.68
Rot. Bonds1

About 5-bromo-2-fluoropyridine-3-carboxylic acid

5-bromo-2-fluoropyridine-3-carboxylic acid (PubChem CID 24721371) has the molecular formula C6H3BrFNO2 and a molecular weight of 220.00 g/mol. Its IUPAC name is 5-bromo-2-fluoropyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-fluoropyridine-3-carboxylic acid
PubChem CID24721371
Molecular FormulaC6H3BrFNO2
Molecular Weight220.00 g/mol
Exact Mass218.93
IUPAC Name5-bromo-2-fluoropyridine-3-carboxylic acid
SMILESO=C(O)c1cc(Br)cnc1F
InChIInChI=1S/C6H3BrFNO2/c7-3-1-4(6(10)11)5(8)9-2-3/h1-2H,(H,10,11)
InChIKeyVUGXRWXIIOSMCF-UHFFFAOYSA-N
XLogP1.68
TPSA50.19 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 ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoropyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-2-fluoropyridine-3-carboxylic acid (CID 24721371) is 5-bromo-2-fluoropyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-2-fluoropyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-2-fluoropyridine-3-carboxylic acid is O=C(O)c1cc(Br)cnc1F.
What is the InChIKey of 5-bromo-2-fluoropyridine-3-carboxylic acid?
The InChIKey is VUGXRWXIIOSMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrFNO2/c7-3-1-4(6(10)11)5(8)9-2-3/h1-2H,(H,10,11).
What are the key properties of 5-bromo-2-fluoropyridine-3-carboxylic acid?
5-bromo-2-fluoropyridine-3-carboxylic acid has a molecular weight of 220.00 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoropyridine-3-carboxylic acid is sourced from PubChem (CID 24721371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).