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

C9H8BrNOS — CID 130805571

IUPAC(7-amino-6-bromo-1-benzothiophen-2-yl)methanol
SMILESNc1c(Br)ccc2cc(CO)sc12
InChIInChI=1S/C9H8BrNOS/c10-7-2-1-5-3-6(4-12)13-9(5)8(7)11/h1-3,12H,4,11H2
InChIKeySFFWJNWYLIQOPL-UHFFFAOYSA-N
MW258.14 g/mol
LogP2.74
Rot. Bonds1

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

(7-amino-6-bromo-1-benzothiophen-2-yl)methanol (PubChem CID 130805571) has the molecular formula C9H8BrNOS and a molecular weight of 258.14 g/mol. Its IUPAC name is (7-amino-6-bromo-1-benzothiophen-2-yl)methanol.

Molecular Properties

Compound Name(7-amino-6-bromo-1-benzothiophen-2-yl)methanol
PubChem CID130805571
Molecular FormulaC9H8BrNOS
Molecular Weight258.14 g/mol
Exact Mass256.95
IUPAC Name(7-amino-6-bromo-1-benzothiophen-2-yl)methanol
SMILESNc1c(Br)ccc2cc(CO)sc12
InChIInChI=1S/C9H8BrNOS/c10-7-2-1-5-3-6(4-12)13-9(5)8(7)11/h1-3,12H,4,11H2
InChIKeySFFWJNWYLIQOPL-UHFFFAOYSA-N
XLogP2.74
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.14
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(7-bromo-1-benzothiophen-2-yl)methanol
CID 53396438
(5,7-dibromo-1-benzothiophen-2-yl)methanol
CID 130982936
7-amino-2-(chloromethyl)-1-benzothiophen-6-ol
CID 130803179
2-(hydroxymethyl)-7-methylsulfanyl-1-benzothiophen-6-ol
CID 131057252
(5-amino-7-iodo-1-benzothiophen-2-yl)methanol
CID 131014314
6-bromo-2-(chloromethyl)-7-ethyl-1-benzothiophene
CID 131215592
6-bromo-2-(chloromethyl)-7-methoxy-1-benzothiophene
CID 131030911
3,6-dibromobenzene-1,2-diamine
CID 159857959
2-(hydroxymethyl)-7-methyl-1-benzothiophen-5-ol
CID 130805249
(4-bromo-1-benzothiophen-2-yl)methanol
CID 13466536
2-bromonaphthalen-1-amine
CID 10889478
(7-methyl-5-sulfanyl-1-benzothiophen-2-yl)methanol
CID 131080883

Frequently Asked Questions

What is the IUPAC name of (7-amino-6-bromo-1-benzothiophen-2-yl)methanol?
The IUPAC name of (7-amino-6-bromo-1-benzothiophen-2-yl)methanol (CID 130805571) is (7-amino-6-bromo-1-benzothiophen-2-yl)methanol.
What is the SMILES notation for (7-amino-6-bromo-1-benzothiophen-2-yl)methanol?
The canonical SMILES for (7-amino-6-bromo-1-benzothiophen-2-yl)methanol is Nc1c(Br)ccc2cc(CO)sc12.
What is the InChIKey of (7-amino-6-bromo-1-benzothiophen-2-yl)methanol?
The InChIKey is SFFWJNWYLIQOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNOS/c10-7-2-1-5-3-6(4-12)13-9(5)8(7)11/h1-3,12H,4,11H2.
What are the key properties of (7-amino-6-bromo-1-benzothiophen-2-yl)methanol?
(7-amino-6-bromo-1-benzothiophen-2-yl)methanol has a molecular weight of 258.14 g/mol, XLogP of 2.74, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-6-bromo-1-benzothiophen-2-yl)methanol is sourced from PubChem (CID 130805571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).