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

C7H5BrFNO2 — CID 159654807

IUPAC6-bromo-5-fluoro-2-methylpyridine-3-carboxylic acid
SMILESCc1nc(Br)c(F)cc1C(=O)O
InChIInChI=1S/C7H5BrFNO2/c1-3-4(7(11)12)2-5(9)6(8)10-3/h2H,1H3,(H,11,12)
InChIKeyMSAOOKLYZGAUGF-UHFFFAOYSA-N
MW234.02 g/mol
LogP1.99
Rot. Bonds1

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

6-bromo-5-fluoro-2-methylpyridine-3-carboxylic acid (PubChem CID 159654807) has the molecular formula C7H5BrFNO2 and a molecular weight of 234.02 g/mol. Its IUPAC name is 6-bromo-5-fluoro-2-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-bromo-5-fluoro-2-methylpyridine-3-carboxylic acid
PubChem CID159654807
Molecular FormulaC7H5BrFNO2
Molecular Weight234.02 g/mol
Exact Mass232.95
IUPAC Name6-bromo-5-fluoro-2-methylpyridine-3-carboxylic acid
SMILESCc1nc(Br)c(F)cc1C(=O)O
InChIInChI=1S/C7H5BrFNO2/c1-3-4(7(11)12)2-5(9)6(8)10-3/h2H,1H3,(H,11,12)
InChIKeyMSAOOKLYZGAUGF-UHFFFAOYSA-N
XLogP1.99
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.02
LogP ≤ 51.99
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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Related Compounds

5-bromo-2,6-dimethylpyridine-3-carboxylic acid
CID 130636897
2-bromo-5-fluoro-6-iodopyridine-3-carboxylic acid
CID 168955979
5-fluoro-2-methyl-6-(3-oxoazetidin-1-yl)pyridine-3-carboxylic acid
CID 172793833
3-bromo-6-fluoro-2-methylpyridine-4-carboxylic acid
CID 164893881
8-fluoro-2-methylquinoline-3-carboxylic acid;hydrochloride
CID 119031045
2,8-dimethylpyrido[3,2-g]quinoline-3,7-dicarboxylic acid
CID 2749573
1-(5-fluoro-2,6-dimethyl-3-pyridinyl)ethanone
CID 144835745
3-fluoro-5-methoxycarbonyl-6-methylpyridine-2-carboxylic acid
CID 162377368
6-(4-bromophenyl)-2,5-dimethylpyridine-3-carboxylic acid
CID 112562057
3-bromo-6-methyl-[1,2]thiazolo[3,4-b]pyridine-5-carboxylic acid
CID 83668907
5-chloro-6-formyl-2-methylpyridine-3-carboxylic acid
CID 175538652
2,4-dimethylpyrimidine-5-carboxylic acid
CID 6487595

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-fluoro-2-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-bromo-5-fluoro-2-methylpyridine-3-carboxylic acid (CID 159654807) is 6-bromo-5-fluoro-2-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-bromo-5-fluoro-2-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-bromo-5-fluoro-2-methylpyridine-3-carboxylic acid is Cc1nc(Br)c(F)cc1C(=O)O.
What is the InChIKey of 6-bromo-5-fluoro-2-methylpyridine-3-carboxylic acid?
The InChIKey is MSAOOKLYZGAUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrFNO2/c1-3-4(7(11)12)2-5(9)6(8)10-3/h2H,1H3,(H,11,12).
What are the key properties of 6-bromo-5-fluoro-2-methylpyridine-3-carboxylic acid?
6-bromo-5-fluoro-2-methylpyridine-3-carboxylic acid has a molecular weight of 234.02 g/mol, XLogP of 1.99, 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-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 159654807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).