[2-(4-bromophenyl)-1,3-selenazol-4-yl]methanol

C10H8BrNOSe — CID 12597086

IUPAC[2-(4-bromophenyl)-1,3-selenazol-4-yl]methanol
SMILESOCc1c[se]c(-c2ccc(Br)cc2)n1
InChIInChI=1S/C10H8BrNOSe/c11-8-3-1-7(2-4-8)10-12-9(5-13)6-14-10/h1-4,6,13H,5H2
InChIKeyGBVXWOBUWRLYDN-UHFFFAOYSA-N
MW317.04 g/mol
LogP2.06
Rot. Bonds2

About [2-(4-bromophenyl)-1,3-selenazol-4-yl]methanol

[2-(4-bromophenyl)-1,3-selenazol-4-yl]methanol (PubChem CID 12597086) has the molecular formula C10H8BrNOSe and a molecular weight of 317.04 g/mol. Its IUPAC name is [2-(4-bromophenyl)-1,3-selenazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(4-bromophenyl)-1,3-selenazol-4-yl]methanol
PubChem CID12597086
Molecular FormulaC10H8BrNOSe
Molecular Weight317.04 g/mol
Exact Mass316.90
IUPAC Name[2-(4-bromophenyl)-1,3-selenazol-4-yl]methanol
SMILESOCc1c[se]c(-c2ccc(Br)cc2)n1
InChIInChI=1S/C10H8BrNOSe/c11-8-3-1-7(2-4-8)10-12-9(5-13)6-14-10/h1-4,6,13H,5H2
InChIKeyGBVXWOBUWRLYDN-UHFFFAOYSA-N
XLogP2.06
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.04
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(4-bromophenyl)-1,3-selenazol-4-yl]methanol?
The IUPAC name of [2-(4-bromophenyl)-1,3-selenazol-4-yl]methanol (CID 12597086) is [2-(4-bromophenyl)-1,3-selenazol-4-yl]methanol.
What is the SMILES notation for [2-(4-bromophenyl)-1,3-selenazol-4-yl]methanol?
The canonical SMILES for [2-(4-bromophenyl)-1,3-selenazol-4-yl]methanol is OCc1c[se]c(-c2ccc(Br)cc2)n1.
What is the InChIKey of [2-(4-bromophenyl)-1,3-selenazol-4-yl]methanol?
The InChIKey is GBVXWOBUWRLYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNOSe/c11-8-3-1-7(2-4-8)10-12-9(5-13)6-14-10/h1-4,6,13H,5H2.
What are the key properties of [2-(4-bromophenyl)-1,3-selenazol-4-yl]methanol?
[2-(4-bromophenyl)-1,3-selenazol-4-yl]methanol has a molecular weight of 317.04 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromophenyl)-1,3-selenazol-4-yl]methanol is sourced from PubChem (CID 12597086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).