5-bromo-6-fluoropyridine-3-carboxylic acid

C6H3BrFNO2 — CID 45158843

IUPAC5-bromo-6-fluoropyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(F)c(Br)c1
InChIInChI=1S/C6H3BrFNO2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,(H,10,11)
InChIKeyVZBMIACXKWJDNS-UHFFFAOYSA-N
MW220.00 g/mol
LogP1.68
Rot. Bonds1

About 5-bromo-6-fluoropyridine-3-carboxylic acid

5-bromo-6-fluoropyridine-3-carboxylic acid (PubChem CID 45158843) has the molecular formula C6H3BrFNO2 and a molecular weight of 220.00 g/mol. Its IUPAC name is 5-bromo-6-fluoropyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-6-fluoropyridine-3-carboxylic acid
PubChem CID45158843
Molecular FormulaC6H3BrFNO2
Molecular Weight220.00 g/mol
Exact Mass218.93
IUPAC Name5-bromo-6-fluoropyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(F)c(Br)c1
InChIInChI=1S/C6H3BrFNO2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,(H,10,11)
InChIKeyVZBMIACXKWJDNS-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'}

Analyze 5-bromo-6-fluoropyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoropyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-6-fluoropyridine-3-carboxylic acid (CID 45158843) is 5-bromo-6-fluoropyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-6-fluoropyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-6-fluoropyridine-3-carboxylic acid is O=C(O)c1cnc(F)c(Br)c1.
What is the InChIKey of 5-bromo-6-fluoropyridine-3-carboxylic acid?
The InChIKey is VZBMIACXKWJDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrFNO2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,(H,10,11).
What are the key properties of 5-bromo-6-fluoropyridine-3-carboxylic acid?
5-bromo-6-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-6-fluoropyridine-3-carboxylic acid is sourced from PubChem (CID 45158843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).