7-chloro-1,3-dimethyl-9-nitro-10H-phenothiazine

C14H11ClN2O2S — CID 10335338

IUPAC7-chloro-1,3-dimethyl-9-nitro-10H-phenothiazine
SMILESCc1cc(C)c2c(c1)Sc1cc(Cl)cc([N+](=O)[O-])c1N2
InChIInChI=1S/C14H11ClN2O2S/c1-7-3-8(2)13-11(4-7)20-12-6-9(15)5-10(17(18)19)14(12)16-13/h3-6,16H,1-2H3
InChIKeyWZHVJSAFSSKTAP-UHFFFAOYSA-N
MW306.77 g/mol
LogP5.07
Rot. Bonds1

About 7-chloro-1,3-dimethyl-9-nitro-10H-phenothiazine

7-chloro-1,3-dimethyl-9-nitro-10H-phenothiazine (PubChem CID 10335338) has the molecular formula C14H11ClN2O2S and a molecular weight of 306.77 g/mol. Its IUPAC name is 7-chloro-1,3-dimethyl-9-nitro-10H-phenothiazine.

Molecular Properties

Compound Name7-chloro-1,3-dimethyl-9-nitro-10H-phenothiazine
PubChem CID10335338
Molecular FormulaC14H11ClN2O2S
Molecular Weight306.77 g/mol
Exact Mass306.02
IUPAC Name7-chloro-1,3-dimethyl-9-nitro-10H-phenothiazine
SMILESCc1cc(C)c2c(c1)Sc1cc(Cl)cc([N+](=O)[O-])c1N2
InChIInChI=1S/C14H11ClN2O2S/c1-7-3-8(2)13-11(4-7)20-12-6-9(15)5-10(17(18)19)14(12)16-13/h3-6,16H,1-2H3
InChIKeyWZHVJSAFSSKTAP-UHFFFAOYSA-N
XLogP5.07
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.77
LogP ≤ 55.07
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'}

Analyze 7-chloro-1,3-dimethyl-9-nitro-10H-phenothiazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-7-chloro-1-methyl-9-nitro-10H-phenothiazine
CID 12514856
1,3-dichloro-7,9-dinitro-10H-phenothiazine
CID 121010122
3-chloro-1-nitro-9-propan-2-yl-10H-phenothiazine
CID 44623380
7-chloro-3-methoxy-1-nitro-10H-phenothiazine
CID 71403880
5-chloro-3,3-dimethyl-7-nitro-1,2-dihydroindole
CID 82473617
4-chloro-2,6-dinitrophenolate
CID 36690453
N,2,4-trimethyl-6-nitroaniline
CID 10583519
2-(5-chloro-2-nitrophenyl)sulfanyl-1,3,5-trimethylbenzene
CID 71389298
6-chloro-4-methyl-3-nitro-1-benzothiophene
CID 130849894
4,7-dimethyl-5-nitro-1H-indole-2,3-dione
CID 103145278
4-chloro-2-nitro-N-(2,4,6-trimethylphenyl)benzamide
CID 697216
2-chloro-N,4-dimethyl-6-nitroaniline
CID 21161522

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1,3-dimethyl-9-nitro-10H-phenothiazine?
The IUPAC name of 7-chloro-1,3-dimethyl-9-nitro-10H-phenothiazine (CID 10335338) is 7-chloro-1,3-dimethyl-9-nitro-10H-phenothiazine.
What is the SMILES notation for 7-chloro-1,3-dimethyl-9-nitro-10H-phenothiazine?
The canonical SMILES for 7-chloro-1,3-dimethyl-9-nitro-10H-phenothiazine is Cc1cc(C)c2c(c1)Sc1cc(Cl)cc([N+](=O)[O-])c1N2.
What is the InChIKey of 7-chloro-1,3-dimethyl-9-nitro-10H-phenothiazine?
The InChIKey is WZHVJSAFSSKTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2S/c1-7-3-8(2)13-11(4-7)20-12-6-9(15)5-10(17(18)19)14(12)16-13/h3-6,16H,1-2H3.
What are the key properties of 7-chloro-1,3-dimethyl-9-nitro-10H-phenothiazine?
7-chloro-1,3-dimethyl-9-nitro-10H-phenothiazine has a molecular weight of 306.77 g/mol, XLogP of 5.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1,3-dimethyl-9-nitro-10H-phenothiazine is sourced from PubChem (CID 10335338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).