(2-bromo-5-iodo-1-benzothiophen-4-yl)methanol

C9H6BrIOS — CID 130855107

IUPAC(2-bromo-5-iodo-1-benzothiophen-4-yl)methanol
SMILESOCc1c(I)ccc2sc(Br)cc12
InChIInChI=1S/C9H6BrIOS/c10-9-3-5-6(4-12)7(11)1-2-8(5)13-9/h1-3,12H,4H2
InChIKeyVGGRAVWYYNMQJS-UHFFFAOYSA-N
MW369.02 g/mol
LogP3.76
Rot. Bonds1

About (2-bromo-5-iodo-1-benzothiophen-4-yl)methanol

(2-bromo-5-iodo-1-benzothiophen-4-yl)methanol (PubChem CID 130855107) has the molecular formula C9H6BrIOS and a molecular weight of 369.02 g/mol. Its IUPAC name is (2-bromo-5-iodo-1-benzothiophen-4-yl)methanol.

Molecular Properties

Compound Name(2-bromo-5-iodo-1-benzothiophen-4-yl)methanol
PubChem CID130855107
Molecular FormulaC9H6BrIOS
Molecular Weight369.02 g/mol
Exact Mass367.84
IUPAC Name(2-bromo-5-iodo-1-benzothiophen-4-yl)methanol
SMILESOCc1c(I)ccc2sc(Br)cc12
InChIInChI=1S/C9H6BrIOS/c10-9-3-5-6(4-12)7(11)1-2-8(5)13-9/h1-3,12H,4H2
InChIKeyVGGRAVWYYNMQJS-UHFFFAOYSA-N
XLogP3.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.02
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-iodo-1-benzothiophen-4-yl)methanol?
The IUPAC name of (2-bromo-5-iodo-1-benzothiophen-4-yl)methanol (CID 130855107) is (2-bromo-5-iodo-1-benzothiophen-4-yl)methanol.
What is the SMILES notation for (2-bromo-5-iodo-1-benzothiophen-4-yl)methanol?
The canonical SMILES for (2-bromo-5-iodo-1-benzothiophen-4-yl)methanol is OCc1c(I)ccc2sc(Br)cc12.
What is the InChIKey of (2-bromo-5-iodo-1-benzothiophen-4-yl)methanol?
The InChIKey is VGGRAVWYYNMQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrIOS/c10-9-3-5-6(4-12)7(11)1-2-8(5)13-9/h1-3,12H,4H2.
What are the key properties of (2-bromo-5-iodo-1-benzothiophen-4-yl)methanol?
(2-bromo-5-iodo-1-benzothiophen-4-yl)methanol has a molecular weight of 369.02 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-iodo-1-benzothiophen-4-yl)methanol is sourced from PubChem (CID 130855107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).