2-bromo-5-methyl-1H-pyridine-2,6-diol

C6H8BrNO2 — CID 71271263

IUPAC2-bromo-5-methyl-1H-pyridine-2,6-diol
SMILESCC1=C(O)NC(O)(Br)C=C1
InChIInChI=1S/C6H8BrNO2/c1-4-2-3-6(7,10)8-5(4)9/h2-3,8-10H,1H3
InChIKeyVDALDOQKVSMOGB-UHFFFAOYSA-N
MW206.04 g/mol
LogP0.98
Rot. Bonds

About 2-bromo-5-methyl-1H-pyridine-2,6-diol

2-bromo-5-methyl-1H-pyridine-2,6-diol (PubChem CID 71271263) has the molecular formula C6H8BrNO2 and a molecular weight of 206.04 g/mol. Its IUPAC name is 2-bromo-5-methyl-1H-pyridine-2,6-diol.

Molecular Properties

Compound Name2-bromo-5-methyl-1H-pyridine-2,6-diol
PubChem CID71271263
Molecular FormulaC6H8BrNO2
Molecular Weight206.04 g/mol
Exact Mass204.97
IUPAC Name2-bromo-5-methyl-1H-pyridine-2,6-diol
SMILESCC1=C(O)NC(O)(Br)C=C1
InChIInChI=1S/C6H8BrNO2/c1-4-2-3-6(7,10)8-5(4)9/h2-3,8-10H,1H3
InChIKeyVDALDOQKVSMOGB-UHFFFAOYSA-N
XLogP0.98
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.04
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2-bromo-5-methyl-1H-pyridine-2,6-diol 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 2-bromo-5-methyl-1H-pyridine-2,6-diol?
The IUPAC name of 2-bromo-5-methyl-1H-pyridine-2,6-diol (CID 71271263) is 2-bromo-5-methyl-1H-pyridine-2,6-diol.
What is the SMILES notation for 2-bromo-5-methyl-1H-pyridine-2,6-diol?
The canonical SMILES for 2-bromo-5-methyl-1H-pyridine-2,6-diol is CC1=C(O)NC(O)(Br)C=C1.
What is the InChIKey of 2-bromo-5-methyl-1H-pyridine-2,6-diol?
The InChIKey is VDALDOQKVSMOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrNO2/c1-4-2-3-6(7,10)8-5(4)9/h2-3,8-10H,1H3.
What are the key properties of 2-bromo-5-methyl-1H-pyridine-2,6-diol?
2-bromo-5-methyl-1H-pyridine-2,6-diol has a molecular weight of 206.04 g/mol, XLogP of 0.98, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methyl-1H-pyridine-2,6-diol is sourced from PubChem (CID 71271263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).