2-[(2-chlorophenyl)diazenyl]-7-fluoro-1-benzothiophen-3-ol

C14H8ClFN2OS — CID 137146356

IUPAC2-[(2-chlorophenyl)diazenyl]-7-fluoro-1-benzothiophen-3-ol
SMILESOc1c(/N=N/c2ccccc2Cl)sc2c(F)cccc12
InChIInChI=1S/C14H8ClFN2OS/c15-9-5-1-2-7-11(9)17-18-14-12(19)8-4-3-6-10(16)13(8)20-14/h1-7,19H/b18-17+
InChIKeyBQHOIRVXMOFTNV-ISLYRVAYSA-N
MW306.75 g/mol
LogP5.81
Rot. Bonds2

About 2-[(2-chlorophenyl)diazenyl]-7-fluoro-1-benzothiophen-3-ol

2-[(2-chlorophenyl)diazenyl]-7-fluoro-1-benzothiophen-3-ol (PubChem CID 137146356) has the molecular formula C14H8ClFN2OS and a molecular weight of 306.75 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)diazenyl]-7-fluoro-1-benzothiophen-3-ol.

Molecular Properties

Compound Name2-[(2-chlorophenyl)diazenyl]-7-fluoro-1-benzothiophen-3-ol
PubChem CID137146356
Molecular FormulaC14H8ClFN2OS
Molecular Weight306.75 g/mol
Exact Mass306.00
IUPAC Name2-[(2-chlorophenyl)diazenyl]-7-fluoro-1-benzothiophen-3-ol
SMILESOc1c(/N=N/c2ccccc2Cl)sc2c(F)cccc12
InChIInChI=1S/C14H8ClFN2OS/c15-9-5-1-2-7-11(9)17-18-14-12(19)8-4-3-6-10(16)13(8)20-14/h1-7,19H/b18-17+
InChIKeyBQHOIRVXMOFTNV-ISLYRVAYSA-N
XLogP5.81
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.75
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)diazenyl]-7-fluoro-1-benzothiophen-3-ol?
The IUPAC name of 2-[(2-chlorophenyl)diazenyl]-7-fluoro-1-benzothiophen-3-ol (CID 137146356) is 2-[(2-chlorophenyl)diazenyl]-7-fluoro-1-benzothiophen-3-ol.
What is the SMILES notation for 2-[(2-chlorophenyl)diazenyl]-7-fluoro-1-benzothiophen-3-ol?
The canonical SMILES for 2-[(2-chlorophenyl)diazenyl]-7-fluoro-1-benzothiophen-3-ol is Oc1c(/N=N/c2ccccc2Cl)sc2c(F)cccc12.
What is the InChIKey of 2-[(2-chlorophenyl)diazenyl]-7-fluoro-1-benzothiophen-3-ol?
The InChIKey is BQHOIRVXMOFTNV-ISLYRVAYSA-N. The full InChI is InChI=1S/C14H8ClFN2OS/c15-9-5-1-2-7-11(9)17-18-14-12(19)8-4-3-6-10(16)13(8)20-14/h1-7,19H/b18-17+.
What are the key properties of 2-[(2-chlorophenyl)diazenyl]-7-fluoro-1-benzothiophen-3-ol?
2-[(2-chlorophenyl)diazenyl]-7-fluoro-1-benzothiophen-3-ol has a molecular weight of 306.75 g/mol, XLogP of 5.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)diazenyl]-7-fluoro-1-benzothiophen-3-ol is sourced from PubChem (CID 137146356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).