2-bromo-5-fluoro-6-iodopyridine-3-carboxylic acid

C6H2BrFINO2 — CID 168955979

IUPAC2-bromo-5-fluoro-6-iodopyridine-3-carboxylic acid
SMILESO=C(O)c1cc(F)c(I)nc1Br
InChIInChI=1S/C6H2BrFINO2/c7-4-2(6(11)12)1-3(8)5(9)10-4/h1H,(H,11,12)
InChIKeyZKIWGSFDMHYGDC-UHFFFAOYSA-N
MW345.89 g/mol
LogP2.29
Rot. Bonds1

About 2-bromo-5-fluoro-6-iodopyridine-3-carboxylic acid

2-bromo-5-fluoro-6-iodopyridine-3-carboxylic acid (PubChem CID 168955979) has the molecular formula C6H2BrFINO2 and a molecular weight of 345.89 g/mol. Its IUPAC name is 2-bromo-5-fluoro-6-iodopyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-bromo-5-fluoro-6-iodopyridine-3-carboxylic acid
PubChem CID168955979
Molecular FormulaC6H2BrFINO2
Molecular Weight345.89 g/mol
Exact Mass344.83
IUPAC Name2-bromo-5-fluoro-6-iodopyridine-3-carboxylic acid
SMILESO=C(O)c1cc(F)c(I)nc1Br
InChIInChI=1S/C6H2BrFINO2/c7-4-2(6(11)12)1-3(8)5(9)10-4/h1H,(H,11,12)
InChIKeyZKIWGSFDMHYGDC-UHFFFAOYSA-N
XLogP2.29
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.89
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-5-fluoro-6-iodopyridine-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

Related Compounds

2-(difluoromethyl)-5-fluoro-6-iodopyridine-3-carboxylic acid
CID 118837565
6-bromo-5-fluoro-2-methylpyridine-3-carboxylic acid
CID 159654807
4,5-difluoro-2-iodobenzoic acid
CID 14997472
3-(difluoromethyl)-5-fluoro-6-iodopyridine-2-carboxylic acid
CID 130080267
3-bromo-2,4,5-trifluorobenzoic acid
CID 2783246
5-fluorobenzene-1,2,4-tricarboxylic acid
CID 139956779
2-bromo-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 119012331
2-bromo-5-cyano-6-(difluoromethyl)pyridine-3-carboxylic acid
CID 119004230
2,3,4,5-tetrafluorobenzoic acid;tetrahydrofluoride
CID 175062708
4,5-difluoro-2-hydroxybenzoic acid
CID 12040832
4-(4,5-dicarboxy-2-fluorobenzoyl)-5-fluorophthalic acid
CID 67941508
2-bromo-7-fluoroquinoline-4-carboxylic acid
CID 82184189

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-6-iodopyridine-3-carboxylic acid?
The IUPAC name of 2-bromo-5-fluoro-6-iodopyridine-3-carboxylic acid (CID 168955979) is 2-bromo-5-fluoro-6-iodopyridine-3-carboxylic acid.
What is the SMILES notation for 2-bromo-5-fluoro-6-iodopyridine-3-carboxylic acid?
The canonical SMILES for 2-bromo-5-fluoro-6-iodopyridine-3-carboxylic acid is O=C(O)c1cc(F)c(I)nc1Br.
What is the InChIKey of 2-bromo-5-fluoro-6-iodopyridine-3-carboxylic acid?
The InChIKey is ZKIWGSFDMHYGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrFINO2/c7-4-2(6(11)12)1-3(8)5(9)10-4/h1H,(H,11,12).
What are the key properties of 2-bromo-5-fluoro-6-iodopyridine-3-carboxylic acid?
2-bromo-5-fluoro-6-iodopyridine-3-carboxylic acid has a molecular weight of 345.89 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-6-iodopyridine-3-carboxylic acid is sourced from PubChem (CID 168955979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).