[5-bromo-2-(2-ethylimidazol-1-yl)-3-pyridinyl]methanol

C11H12BrN3O — CID 62000751

IUPAC[5-bromo-2-(2-ethylimidazol-1-yl)-3-pyridinyl]methanol
SMILESCCc1nccn1-c1ncc(Br)cc1CO
InChIInChI=1S/C11H12BrN3O/c1-2-10-13-3-4-15(10)11-8(7-16)5-9(12)6-14-11/h3-6,16H,2,7H2,1H3
InChIKeyWCCWCAVQPKENOD-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.08
Rot. Bonds3

About [5-bromo-2-(2-ethylimidazol-1-yl)-3-pyridinyl]methanol

[5-bromo-2-(2-ethylimidazol-1-yl)-3-pyridinyl]methanol (PubChem CID 62000751) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is [5-bromo-2-(2-ethylimidazol-1-yl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-bromo-2-(2-ethylimidazol-1-yl)-3-pyridinyl]methanol
PubChem CID62000751
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name[5-bromo-2-(2-ethylimidazol-1-yl)-3-pyridinyl]methanol
SMILESCCc1nccn1-c1ncc(Br)cc1CO
InChIInChI=1S/C11H12BrN3O/c1-2-10-13-3-4-15(10)11-8(7-16)5-9(12)6-14-11/h3-6,16H,2,7H2,1H3
InChIKeyWCCWCAVQPKENOD-UHFFFAOYSA-N
XLogP2.08
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(2-ethylimidazol-1-yl)-3-pyridinyl]methanol?
The IUPAC name of [5-bromo-2-(2-ethylimidazol-1-yl)-3-pyridinyl]methanol (CID 62000751) is [5-bromo-2-(2-ethylimidazol-1-yl)-3-pyridinyl]methanol.
What is the SMILES notation for [5-bromo-2-(2-ethylimidazol-1-yl)-3-pyridinyl]methanol?
The canonical SMILES for [5-bromo-2-(2-ethylimidazol-1-yl)-3-pyridinyl]methanol is CCc1nccn1-c1ncc(Br)cc1CO.
What is the InChIKey of [5-bromo-2-(2-ethylimidazol-1-yl)-3-pyridinyl]methanol?
The InChIKey is WCCWCAVQPKENOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c1-2-10-13-3-4-15(10)11-8(7-16)5-9(12)6-14-11/h3-6,16H,2,7H2,1H3.
What are the key properties of [5-bromo-2-(2-ethylimidazol-1-yl)-3-pyridinyl]methanol?
[5-bromo-2-(2-ethylimidazol-1-yl)-3-pyridinyl]methanol has a molecular weight of 282.14 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(2-ethylimidazol-1-yl)-3-pyridinyl]methanol is sourced from PubChem (CID 62000751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).