7-fluoro-3-nitro-1-benzothiophen-2-ol

C8H4FNO3S — CID 131196131

IUPAC7-fluoro-3-nitro-1-benzothiophen-2-ol
SMILESO=[N+]([O-])c1c(O)sc2c(F)cccc12
InChIInChI=1S/C8H4FNO3S/c9-5-3-1-2-4-6(10(12)13)8(11)14-7(4)5/h1-3,11H
InChIKeySJLDUYIXXFNYGL-UHFFFAOYSA-N
MW213.19 g/mol
LogP2.65
Rot. Bonds1

About 7-fluoro-3-nitro-1-benzothiophen-2-ol

7-fluoro-3-nitro-1-benzothiophen-2-ol (PubChem CID 131196131) has the molecular formula C8H4FNO3S and a molecular weight of 213.19 g/mol. Its IUPAC name is 7-fluoro-3-nitro-1-benzothiophen-2-ol.

Molecular Properties

Compound Name7-fluoro-3-nitro-1-benzothiophen-2-ol
PubChem CID131196131
Molecular FormulaC8H4FNO3S
Molecular Weight213.19 g/mol
Exact Mass212.99
IUPAC Name7-fluoro-3-nitro-1-benzothiophen-2-ol
SMILESO=[N+]([O-])c1c(O)sc2c(F)cccc12
InChIInChI=1S/C8H4FNO3S/c9-5-3-1-2-4-6(10(12)13)8(11)14-7(4)5/h1-3,11H
InChIKeySJLDUYIXXFNYGL-UHFFFAOYSA-N
XLogP2.65
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-nitro-7-sulfanyl-1-benzothiophen-2-ol
CID 130854646
2-bromo-7-fluoro-3-nitro-1-benzothiophene
CID 130803637
(3-fluoro-2-nitrophenyl)methanol
CID 57368636
7-iodo-2-methyl-3-nitro-1-benzothiophene
CID 130805542
lead(2+);2-nitrobenzene-1,3-diol
CID 21125062
7-bromo-3-nitro-1-benzothiophen-2-amine
CID 130803429
N,3-difluoro-2-nitroaniline
CID 87619715
2-bromo-1-(3-fluoro-2-nitrophenyl)ethanone
CID 99770306
1-bromo-3-(3-fluoro-2-nitrophenyl)propan-2-one
CID 134616625
(3-fluoro-2-nitrophenyl)methanamine;hydrochloride
CID 131869126
4-fluorothioxanthen-9-one
CID 54319807
7-fluoro-2,3-diiodo-1-benzothiophene
CID 130925510

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-nitro-1-benzothiophen-2-ol?
The IUPAC name of 7-fluoro-3-nitro-1-benzothiophen-2-ol (CID 131196131) is 7-fluoro-3-nitro-1-benzothiophen-2-ol.
What is the SMILES notation for 7-fluoro-3-nitro-1-benzothiophen-2-ol?
The canonical SMILES for 7-fluoro-3-nitro-1-benzothiophen-2-ol is O=[N+]([O-])c1c(O)sc2c(F)cccc12.
What is the InChIKey of 7-fluoro-3-nitro-1-benzothiophen-2-ol?
The InChIKey is SJLDUYIXXFNYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4FNO3S/c9-5-3-1-2-4-6(10(12)13)8(11)14-7(4)5/h1-3,11H.
What are the key properties of 7-fluoro-3-nitro-1-benzothiophen-2-ol?
7-fluoro-3-nitro-1-benzothiophen-2-ol has a molecular weight of 213.19 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-nitro-1-benzothiophen-2-ol is sourced from PubChem (CID 131196131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).