3,6-dibromo-4-methylpyridine-2-carboxylic acid

C7H5Br2NO2 — CID 104546717

IUPAC3,6-dibromo-4-methylpyridine-2-carboxylic acid
SMILESCc1cc(Br)nc(C(=O)O)c1Br
InChIInChI=1S/C7H5Br2NO2/c1-3-2-4(8)10-6(5(3)9)7(11)12/h2H,1H3,(H,11,12)
InChIKeyOSXOBNUQADVUNQ-UHFFFAOYSA-N
MW294.93 g/mol
LogP2.61
Rot. Bonds1

About 3,6-dibromo-4-methylpyridine-2-carboxylic acid

3,6-dibromo-4-methylpyridine-2-carboxylic acid (PubChem CID 104546717) has the molecular formula C7H5Br2NO2 and a molecular weight of 294.93 g/mol. Its IUPAC name is 3,6-dibromo-4-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name3,6-dibromo-4-methylpyridine-2-carboxylic acid
PubChem CID104546717
Molecular FormulaC7H5Br2NO2
Molecular Weight294.93 g/mol
Exact Mass292.87
IUPAC Name3,6-dibromo-4-methylpyridine-2-carboxylic acid
SMILESCc1cc(Br)nc(C(=O)O)c1Br
InChIInChI=1S/C7H5Br2NO2/c1-3-2-4(8)10-6(5(3)9)7(11)12/h2H,1H3,(H,11,12)
InChIKeyOSXOBNUQADVUNQ-UHFFFAOYSA-N
XLogP2.61
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.93
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,6-dibromo-4-methylpyridine-2-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

3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carboxylic acid
CID 130069428
6-bromo-4-ethoxy-3-hydroxypyridine-2-carboxylic acid
CID 118643944
2,5-dibromo-3-methylbenzoic acid
CID 11850381
6-(4-bromo-3,5-dimethylanilino)-3-chloropyridine-2-carboxylic acid
CID 107575433
3-amino-6-bromo-5-methylpyridine-2-carboxylic acid
CID 105488793
4,6-dibromo-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 118845283
2-bromo-5-methylpyrimidine-4-carboxylic acid
CID 151168996
3-bromo-4-tert-butyl-6-fluoropyridine-2-carboxylic acid
CID 89499079
6-bromo-4-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
CID 130068422
5-acetyl-2-(4-bromo-3,5-dimethylanilino)-1,3-thiazole-4-carboxylic acid
CID 107580542
2-bromo-5-hydroxy-3-methylbenzoic acid
CID 66726623
3-amino-6-bromopyrazine-2-carboxylic acid
CID 18521600

Frequently Asked Questions

What is the IUPAC name of 3,6-dibromo-4-methylpyridine-2-carboxylic acid?
The IUPAC name of 3,6-dibromo-4-methylpyridine-2-carboxylic acid (CID 104546717) is 3,6-dibromo-4-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 3,6-dibromo-4-methylpyridine-2-carboxylic acid?
The canonical SMILES for 3,6-dibromo-4-methylpyridine-2-carboxylic acid is Cc1cc(Br)nc(C(=O)O)c1Br.
What is the InChIKey of 3,6-dibromo-4-methylpyridine-2-carboxylic acid?
The InChIKey is OSXOBNUQADVUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Br2NO2/c1-3-2-4(8)10-6(5(3)9)7(11)12/h2H,1H3,(H,11,12).
What are the key properties of 3,6-dibromo-4-methylpyridine-2-carboxylic acid?
3,6-dibromo-4-methylpyridine-2-carboxylic acid has a molecular weight of 294.93 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibromo-4-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 104546717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).