[7-amino-5-(bromomethyl)-1-benzothiophen-3-yl]methanol

C10H10BrNOS — CID 131191545

IUPAC[7-amino-5-(bromomethyl)-1-benzothiophen-3-yl]methanol
SMILESNc1cc(CBr)cc2c(CO)csc12
InChIInChI=1S/C10H10BrNOS/c11-3-6-1-8-7(4-13)5-14-10(8)9(12)2-6/h1-2,5,13H,3-4,12H2
InChIKeyIGQCYVFMXRVMOF-UHFFFAOYSA-N
MW272.17 g/mol
LogP2.87
Rot. Bonds2

About [7-amino-5-(bromomethyl)-1-benzothiophen-3-yl]methanol

[7-amino-5-(bromomethyl)-1-benzothiophen-3-yl]methanol (PubChem CID 131191545) has the molecular formula C10H10BrNOS and a molecular weight of 272.17 g/mol. Its IUPAC name is [7-amino-5-(bromomethyl)-1-benzothiophen-3-yl]methanol.

Molecular Properties

Compound Name[7-amino-5-(bromomethyl)-1-benzothiophen-3-yl]methanol
PubChem CID131191545
Molecular FormulaC10H10BrNOS
Molecular Weight272.17 g/mol
Exact Mass270.97
IUPAC Name[7-amino-5-(bromomethyl)-1-benzothiophen-3-yl]methanol
SMILESNc1cc(CBr)cc2c(CO)csc12
InChIInChI=1S/C10H10BrNOS/c11-3-6-1-8-7(4-13)5-14-10(8)9(12)2-6/h1-2,5,13H,3-4,12H2
InChIKeyIGQCYVFMXRVMOF-UHFFFAOYSA-N
XLogP2.87
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(bromomethyl)-5-chloro-1-benzothiophen-7-amine
CID 130883393
(5-amino-7-methylsulfanyl-1-benzothiophen-3-yl)methanol
CID 130951650
5-(bromomethyl)-1-benzothiophene-3,7-diol
CID 130826553
7-bromo-3-(bromomethyl)-5-ethyl-1-benzothiophene
CID 130870265
6-(bromomethyl)-3-ethyl-1-benzothiophen-4-amine
CID 131138124
(7-bromo-1-benzothiophen-3-yl)methanol
CID 81142228
[6-amino-5-(chloromethyl)-1-benzothiophen-3-yl]methanol
CID 130877236
5-(bromomethyl)-7-methoxy-1-benzothiophene-3-thiol
CID 130870300
5-(bromomethyl)-3-fluoro-7-methoxy-1-benzothiophene
CID 130878487
3-amino-5-(hydroxymethyl)-1-benzothiophene-7-carbonitrile
CID 131033904
7-amino-3-(hydroxymethyl)-1-benzothiophene-6-carbonitrile
CID 131080388
[7-(bromomethyl)-3-fluoro-1-benzothiophen-6-yl]methanol
CID 130878455

Frequently Asked Questions

What is the IUPAC name of [7-amino-5-(bromomethyl)-1-benzothiophen-3-yl]methanol?
The IUPAC name of [7-amino-5-(bromomethyl)-1-benzothiophen-3-yl]methanol (CID 131191545) is [7-amino-5-(bromomethyl)-1-benzothiophen-3-yl]methanol.
What is the SMILES notation for [7-amino-5-(bromomethyl)-1-benzothiophen-3-yl]methanol?
The canonical SMILES for [7-amino-5-(bromomethyl)-1-benzothiophen-3-yl]methanol is Nc1cc(CBr)cc2c(CO)csc12.
What is the InChIKey of [7-amino-5-(bromomethyl)-1-benzothiophen-3-yl]methanol?
The InChIKey is IGQCYVFMXRVMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNOS/c11-3-6-1-8-7(4-13)5-14-10(8)9(12)2-6/h1-2,5,13H,3-4,12H2.
What are the key properties of [7-amino-5-(bromomethyl)-1-benzothiophen-3-yl]methanol?
[7-amino-5-(bromomethyl)-1-benzothiophen-3-yl]methanol has a molecular weight of 272.17 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-amino-5-(bromomethyl)-1-benzothiophen-3-yl]methanol is sourced from PubChem (CID 131191545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).