3-iodo-7-nitro-10H-phenothiazine

C12H7IN2O2S — CID 70686556

IUPAC3-iodo-7-nitro-10H-phenothiazine
SMILESO=[N+]([O-])c1ccc2c(c1)Sc1cc(I)ccc1N2
InChIInChI=1S/C12H7IN2O2S/c13-7-1-3-9-11(5-7)18-12-6-8(15(16)17)2-4-10(12)14-9/h1-6,14H
InChIKeyLCWQTRWYFQITCC-UHFFFAOYSA-N
MW370.17 g/mol
LogP4.41
Rot. Bonds1

About 3-iodo-7-nitro-10H-phenothiazine

3-iodo-7-nitro-10H-phenothiazine (PubChem CID 70686556) has the molecular formula C12H7IN2O2S and a molecular weight of 370.17 g/mol. Its IUPAC name is 3-iodo-7-nitro-10H-phenothiazine.

Molecular Properties

Compound Name3-iodo-7-nitro-10H-phenothiazine
PubChem CID70686556
Molecular FormulaC12H7IN2O2S
Molecular Weight370.17 g/mol
Exact Mass369.93
IUPAC Name3-iodo-7-nitro-10H-phenothiazine
SMILESO=[N+]([O-])c1ccc2c(c1)Sc1cc(I)ccc1N2
InChIInChI=1S/C12H7IN2O2S/c13-7-1-3-9-11(5-7)18-12-6-8(15(16)17)2-4-10(12)14-9/h1-6,14H
InChIKeyLCWQTRWYFQITCC-UHFFFAOYSA-N
XLogP4.41
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.17
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Nitro-10H-phenothiazine
CID 3838042
7-Nitro-2-(trifluoromethyl)-10H-phenothiazine
CID 4677573
3-bromo-7-nitro-10H-phenothiazine
CID 70692879
Vjb8H6zxn3
CID 70686559
7-Nitro-2H-benzo[b][1,4]thiazin-3(4H)-one
CID 370121
1,3-Dinitro-7-fluorophenothiazine
CID 16655533
7-fluoro-1-nitro-10H-phenothiazine
CID 53919988
10-(4-Nitrophenyl)phenothiazine
CID 459009
1,3,4-Trifluoro-2-nitrophenothiazine
CID 385372
10-methyl-3-nitro-10H-phenothiazine
CID 638540
3,7-dinitro-10H-phenothiazine
CID 4371797
1,3-Dinitrophenothiazine
CID 12537509

Frequently Asked Questions

What is the IUPAC name of 3-iodo-7-nitro-10H-phenothiazine?
The IUPAC name of 3-iodo-7-nitro-10H-phenothiazine (CID 70686556) is 3-iodo-7-nitro-10H-phenothiazine.
What is the SMILES notation for 3-iodo-7-nitro-10H-phenothiazine?
The canonical SMILES for 3-iodo-7-nitro-10H-phenothiazine is O=[N+]([O-])c1ccc2c(c1)Sc1cc(I)ccc1N2.
What is the InChIKey of 3-iodo-7-nitro-10H-phenothiazine?
The InChIKey is LCWQTRWYFQITCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7IN2O2S/c13-7-1-3-9-11(5-7)18-12-6-8(15(16)17)2-4-10(12)14-9/h1-6,14H.
What are the key properties of 3-iodo-7-nitro-10H-phenothiazine?
3-iodo-7-nitro-10H-phenothiazine has a molecular weight of 370.17 g/mol, XLogP of 4.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-7-nitro-10H-phenothiazine is sourced from PubChem (CID 70686556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).