[3-[(6-bromo-3-pyridinyl)methyl]imidazol-4-yl]methanol

C10H10BrN3O — CID 54016966

IUPAC[3-[(6-bromo-3-pyridinyl)methyl]imidazol-4-yl]methanol
SMILESOCc1cncn1Cc1ccc(Br)nc1
InChIInChI=1S/C10H10BrN3O/c11-10-2-1-8(3-13-10)5-14-7-12-4-9(14)6-15/h1-4,7,15H,5-6H2
InChIKeyKWHHKVHIYLARCA-UHFFFAOYSA-N
MW268.11 g/mol
LogP1.58
Rot. Bonds3

About [3-[(6-bromo-3-pyridinyl)methyl]imidazol-4-yl]methanol

[3-[(6-bromo-3-pyridinyl)methyl]imidazol-4-yl]methanol (PubChem CID 54016966) has the molecular formula C10H10BrN3O and a molecular weight of 268.11 g/mol. Its IUPAC name is [3-[(6-bromo-3-pyridinyl)methyl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name[3-[(6-bromo-3-pyridinyl)methyl]imidazol-4-yl]methanol
PubChem CID54016966
Molecular FormulaC10H10BrN3O
Molecular Weight268.11 g/mol
Exact Mass267.00
IUPAC Name[3-[(6-bromo-3-pyridinyl)methyl]imidazol-4-yl]methanol
SMILESOCc1cncn1Cc1ccc(Br)nc1
InChIInChI=1S/C10H10BrN3O/c11-10-2-1-8(3-13-10)5-14-7-12-4-9(14)6-15/h1-4,7,15H,5-6H2
InChIKeyKWHHKVHIYLARCA-UHFFFAOYSA-N
XLogP1.58
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [3-[(6-bromo-3-pyridinyl)methyl]imidazol-4-yl]methanol 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 [3-[(6-bromo-3-pyridinyl)methyl]imidazol-4-yl]methanol?
The IUPAC name of [3-[(6-bromo-3-pyridinyl)methyl]imidazol-4-yl]methanol (CID 54016966) is [3-[(6-bromo-3-pyridinyl)methyl]imidazol-4-yl]methanol.
What is the SMILES notation for [3-[(6-bromo-3-pyridinyl)methyl]imidazol-4-yl]methanol?
The canonical SMILES for [3-[(6-bromo-3-pyridinyl)methyl]imidazol-4-yl]methanol is OCc1cncn1Cc1ccc(Br)nc1.
What is the InChIKey of [3-[(6-bromo-3-pyridinyl)methyl]imidazol-4-yl]methanol?
The InChIKey is KWHHKVHIYLARCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O/c11-10-2-1-8(3-13-10)5-14-7-12-4-9(14)6-15/h1-4,7,15H,5-6H2.
What are the key properties of [3-[(6-bromo-3-pyridinyl)methyl]imidazol-4-yl]methanol?
[3-[(6-bromo-3-pyridinyl)methyl]imidazol-4-yl]methanol has a molecular weight of 268.11 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(6-bromo-3-pyridinyl)methyl]imidazol-4-yl]methanol is sourced from PubChem (CID 54016966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).