(2-amino-7-iodo-1-benzothiophen-6-yl)methanol

C9H8INOS — CID 131034404

IUPAC(2-amino-7-iodo-1-benzothiophen-6-yl)methanol
SMILESNc1cc2ccc(CO)c(I)c2s1
InChIInChI=1S/C9H8INOS/c10-8-6(4-12)2-1-5-3-7(11)13-9(5)8/h1-3,12H,4,11H2
InChIKeyCLYNZQSKAMJSLQ-UHFFFAOYSA-N
MW305.14 g/mol
LogP2.58
Rot. Bonds1

About (2-amino-7-iodo-1-benzothiophen-6-yl)methanol

(2-amino-7-iodo-1-benzothiophen-6-yl)methanol (PubChem CID 131034404) has the molecular formula C9H8INOS and a molecular weight of 305.14 g/mol. Its IUPAC name is (2-amino-7-iodo-1-benzothiophen-6-yl)methanol.

Molecular Properties

Compound Name(2-amino-7-iodo-1-benzothiophen-6-yl)methanol
PubChem CID131034404
Molecular FormulaC9H8INOS
Molecular Weight305.14 g/mol
Exact Mass304.94
IUPAC Name(2-amino-7-iodo-1-benzothiophen-6-yl)methanol
SMILESNc1cc2ccc(CO)c(I)c2s1
InChIInChI=1S/C9H8INOS/c10-8-6(4-12)2-1-5-3-7(11)13-9(5)8/h1-3,12H,4,11H2
InChIKeyCLYNZQSKAMJSLQ-UHFFFAOYSA-N
XLogP2.58
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.14
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-6-methoxy-1-benzothiophen-7-yl)methanol
CID 130821048
(2-amino-6-methylsulfanyl-1-benzothiophen-7-yl)methanol
CID 131076195
7-fluoro-6-iodo-1-benzothiophen-2-amine
CID 130878508
7-bromo-6-iodo-1-benzothiophen-2-amine
CID 131091670
2-(2-amino-6-iodo-1-benzothiophen-7-yl)acetonitrile
CID 130898438
7-methylthieno[3,2-g][1]benzothiol-2-amine
CID 129228320
6-(hydroxymethyl)-7-iodo-1-benzothiophen-3-ol
CID 130961297
(2-fluoro-7-sulfanyl-1-benzothiophen-6-yl)methanol
CID 130944049
(3,4-difluoro-2-iodophenyl)methanol
CID 137378555
(7-methyl-2-methylsulfanyl-1-benzothiophen-6-yl)methanol
CID 130944032
7-(hydroxymethyl)-6-iodo-1-benzothiophen-2-ol
CID 131169665
(3-bromo-2-iodophenyl)methanol
CID 127256333

Frequently Asked Questions

What is the IUPAC name of (2-amino-7-iodo-1-benzothiophen-6-yl)methanol?
The IUPAC name of (2-amino-7-iodo-1-benzothiophen-6-yl)methanol (CID 131034404) is (2-amino-7-iodo-1-benzothiophen-6-yl)methanol.
What is the SMILES notation for (2-amino-7-iodo-1-benzothiophen-6-yl)methanol?
The canonical SMILES for (2-amino-7-iodo-1-benzothiophen-6-yl)methanol is Nc1cc2ccc(CO)c(I)c2s1.
What is the InChIKey of (2-amino-7-iodo-1-benzothiophen-6-yl)methanol?
The InChIKey is CLYNZQSKAMJSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8INOS/c10-8-6(4-12)2-1-5-3-7(11)13-9(5)8/h1-3,12H,4,11H2.
What are the key properties of (2-amino-7-iodo-1-benzothiophen-6-yl)methanol?
(2-amino-7-iodo-1-benzothiophen-6-yl)methanol has a molecular weight of 305.14 g/mol, XLogP of 2.58, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-7-iodo-1-benzothiophen-6-yl)methanol is sourced from PubChem (CID 131034404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).