3-methoxy-7-nitro-10H-phenothiazine

C13H10N2O3S — CID 70690740

IUPAC3-methoxy-7-nitro-10H-phenothiazine
SMILESCOc1ccc2c(c1)Sc1cc([N+](=O)[O-])ccc1N2
InChIInChI=1S/C13H10N2O3S/c1-18-9-3-5-11-13(7-9)19-12-6-8(15(16)17)2-4-10(12)14-11/h2-7,14H,1H3
InChIKeyFOAQLYANOPOQFD-UHFFFAOYSA-N
MW274.30 g/mol
LogP3.81
Rot. Bonds2

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

3-methoxy-7-nitro-10H-phenothiazine (PubChem CID 70690740) has the molecular formula C13H10N2O3S and a molecular weight of 274.30 g/mol. Its IUPAC name is 3-methoxy-7-nitro-10H-phenothiazine.

Molecular Properties

Compound Name3-methoxy-7-nitro-10H-phenothiazine
PubChem CID70690740
Molecular FormulaC13H10N2O3S
Molecular Weight274.30 g/mol
Exact Mass274.04
IUPAC Name3-methoxy-7-nitro-10H-phenothiazine
SMILESCOc1ccc2c(c1)Sc1cc([N+](=O)[O-])ccc1N2
InChIInChI=1S/C13H10N2O3S/c1-18-9-3-5-11-13(7-9)19-12-6-8(15(16)17)2-4-10(12)14-11/h2-7,14H,1H3
InChIKeyFOAQLYANOPOQFD-UHFFFAOYSA-N
XLogP3.81
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-7-nitro-10H-phenothiazine?
The IUPAC name of 3-methoxy-7-nitro-10H-phenothiazine (CID 70690740) is 3-methoxy-7-nitro-10H-phenothiazine.
What is the SMILES notation for 3-methoxy-7-nitro-10H-phenothiazine?
The canonical SMILES for 3-methoxy-7-nitro-10H-phenothiazine is COc1ccc2c(c1)Sc1cc([N+](=O)[O-])ccc1N2.
What is the InChIKey of 3-methoxy-7-nitro-10H-phenothiazine?
The InChIKey is FOAQLYANOPOQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3S/c1-18-9-3-5-11-13(7-9)19-12-6-8(15(16)17)2-4-10(12)14-11/h2-7,14H,1H3.
What are the key properties of 3-methoxy-7-nitro-10H-phenothiazine?
3-methoxy-7-nitro-10H-phenothiazine has a molecular weight of 274.30 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-7-nitro-10H-phenothiazine is sourced from PubChem (CID 70690740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).