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

C9H6BrIOS — CID 130839973

IUPAC(7-bromo-2-iodo-1-benzothiophen-5-yl)methanol
SMILESOCc1cc(Br)c2sc(I)cc2c1
InChIInChI=1S/C9H6BrIOS/c10-7-2-5(4-12)1-6-3-8(11)13-9(6)7/h1-3,12H,4H2
InChIKeyXBZSCYAKJAFMCL-UHFFFAOYSA-N
MW369.02 g/mol
LogP3.76
Rot. Bonds1

About (7-bromo-2-iodo-1-benzothiophen-5-yl)methanol

(7-bromo-2-iodo-1-benzothiophen-5-yl)methanol (PubChem CID 130839973) has the molecular formula C9H6BrIOS and a molecular weight of 369.02 g/mol. Its IUPAC name is (7-bromo-2-iodo-1-benzothiophen-5-yl)methanol.

Molecular Properties

Compound Name(7-bromo-2-iodo-1-benzothiophen-5-yl)methanol
PubChem CID130839973
Molecular FormulaC9H6BrIOS
Molecular Weight369.02 g/mol
Exact Mass367.84
IUPAC Name(7-bromo-2-iodo-1-benzothiophen-5-yl)methanol
SMILESOCc1cc(Br)c2sc(I)cc2c1
InChIInChI=1S/C9H6BrIOS/c10-7-2-5(4-12)1-6-3-8(11)13-9(6)7/h1-3,12H,4H2
InChIKeyXBZSCYAKJAFMCL-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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Related Compounds

7-bromo-5-(hydroxymethyl)-1-benzothiophene-2-carbaldehyde
CID 130805675
(5,7-dibromo-1-benzothiophen-2-yl)methanol
CID 130982936
(7-amino-2-fluoro-1-benzothiophen-5-yl)methanol
CID 130788720
(2-iodo-6-methyl-1-benzothiophen-7-yl)methanol
CID 131124401
5-(hydroxymethyl)-2-sulfanyl-1-benzothiophen-7-ol
CID 130826901
2-(7-amino-2-iodo-1-benzothiophen-5-yl)acetonitrile
CID 130898440
(7-bromo-1-methylindol-5-yl)methanol
CID 139560764
(4-bromo-3-methyl-1-benzothiophen-6-yl)methanol
CID 130839310
6-(hydroxymethyl)-2-iodo-1-benzothiophene-4-carbaldehyde
CID 130827144
(2,6-dibromo-1-benzothiophen-5-yl)methanol
CID 130785805
(2-iodo-1H-indol-5-yl)methanol
CID 130338114
5-(hydroxymethyl)-7-methylsulfanyl-1-benzothiophen-2-ol
CID 130898867

Frequently Asked Questions

What is the IUPAC name of (7-bromo-2-iodo-1-benzothiophen-5-yl)methanol?
The IUPAC name of (7-bromo-2-iodo-1-benzothiophen-5-yl)methanol (CID 130839973) is (7-bromo-2-iodo-1-benzothiophen-5-yl)methanol.
What is the SMILES notation for (7-bromo-2-iodo-1-benzothiophen-5-yl)methanol?
The canonical SMILES for (7-bromo-2-iodo-1-benzothiophen-5-yl)methanol is OCc1cc(Br)c2sc(I)cc2c1.
What is the InChIKey of (7-bromo-2-iodo-1-benzothiophen-5-yl)methanol?
The InChIKey is XBZSCYAKJAFMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrIOS/c10-7-2-5(4-12)1-6-3-8(11)13-9(6)7/h1-3,12H,4H2.
What are the key properties of (7-bromo-2-iodo-1-benzothiophen-5-yl)methanol?
(7-bromo-2-iodo-1-benzothiophen-5-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 (7-bromo-2-iodo-1-benzothiophen-5-yl)methanol is sourced from PubChem (CID 130839973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).