5-chloro-3-nitro-1-benzothiophen-6-ol

C8H4ClNO3S — CID 130898565

IUPAC5-chloro-3-nitro-1-benzothiophen-6-ol
SMILESO=[N+]([O-])c1csc2cc(O)c(Cl)cc12
InChIInChI=1S/C8H4ClNO3S/c9-5-1-4-6(10(12)13)3-14-8(4)2-7(5)11/h1-3,11H
InChIKeyHVLVCZUKRRXMGU-UHFFFAOYSA-N
MW229.64 g/mol
LogP3.17
Rot. Bonds1

About 5-chloro-3-nitro-1-benzothiophen-6-ol

5-chloro-3-nitro-1-benzothiophen-6-ol (PubChem CID 130898565) has the molecular formula C8H4ClNO3S and a molecular weight of 229.64 g/mol. Its IUPAC name is 5-chloro-3-nitro-1-benzothiophen-6-ol.

Molecular Properties

Compound Name5-chloro-3-nitro-1-benzothiophen-6-ol
PubChem CID130898565
Molecular FormulaC8H4ClNO3S
Molecular Weight229.64 g/mol
Exact Mass228.96
IUPAC Name5-chloro-3-nitro-1-benzothiophen-6-ol
SMILESO=[N+]([O-])c1csc2cc(O)c(Cl)cc12
InChIInChI=1S/C8H4ClNO3S/c9-5-1-4-6(10(12)13)3-14-8(4)2-7(5)11/h1-3,11H
InChIKeyHVLVCZUKRRXMGU-UHFFFAOYSA-N
XLogP3.17
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.64
LogP ≤ 53.17
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

6-chloro-3-nitro-1-benzothiophen-4-ol
CID 131146132
3-nitro-6-sulfanyl-1-benzothiophen-4-ol
CID 130821665
3-chloro-5-nitro-1-benzothiophen-4-ol
CID 91756096
4-chloro-2,3-dimethyl-6-nitrophenol
CID 23238949
6-chloro-4-methyl-3-nitro-1-benzothiophene
CID 130849894
3,6-diiodo-5-nitro-1-benzothiophene
CID 131191498
3-hydroxy-4-nitrothiophene-2-carboxylic acid
CID 131031050
4-butyl-2-chloro-5-nitrophenol
CID 174519541
1,4-dichloro-2-(2,5-dichloro-4-nitrophenoxy)-5-nitrobenzene
CID 57162217
5-fluoro-3-methyl-6-nitro-1-benzothiophene
CID 130866447
4-nitro-3-sulfanyl-1-benzothiophen-6-ol
CID 130987130
potassium 2-chloro-4-nitrophenol
CID 71150199

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-nitro-1-benzothiophen-6-ol?
The IUPAC name of 5-chloro-3-nitro-1-benzothiophen-6-ol (CID 130898565) is 5-chloro-3-nitro-1-benzothiophen-6-ol.
What is the SMILES notation for 5-chloro-3-nitro-1-benzothiophen-6-ol?
The canonical SMILES for 5-chloro-3-nitro-1-benzothiophen-6-ol is O=[N+]([O-])c1csc2cc(O)c(Cl)cc12.
What is the InChIKey of 5-chloro-3-nitro-1-benzothiophen-6-ol?
The InChIKey is HVLVCZUKRRXMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClNO3S/c9-5-1-4-6(10(12)13)3-14-8(4)2-7(5)11/h1-3,11H.
What are the key properties of 5-chloro-3-nitro-1-benzothiophen-6-ol?
5-chloro-3-nitro-1-benzothiophen-6-ol has a molecular weight of 229.64 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-nitro-1-benzothiophen-6-ol is sourced from PubChem (CID 130898565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).