9-methoxy-3,6-dinitrocarbazole

C13H9N3O5 — CID 155908521

IUPAC9-methoxy-3,6-dinitrocarbazole
SMILESCOn1c2ccc([N+](=O)[O-])cc2c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C13H9N3O5/c1-21-14-12-4-2-8(15(17)18)6-10(12)11-7-9(16(19)20)3-5-13(11)14/h2-7H,1H3
InChIKeyVKEVHAWVNCNFCD-UHFFFAOYSA-N
MW287.23 g/mol
LogP2.67
Rot. Bonds3

About 9-methoxy-3,6-dinitrocarbazole

9-methoxy-3,6-dinitrocarbazole (PubChem CID 155908521) has the molecular formula C13H9N3O5 and a molecular weight of 287.23 g/mol. Its IUPAC name is 9-methoxy-3,6-dinitrocarbazole.

Molecular Properties

Compound Name9-methoxy-3,6-dinitrocarbazole
PubChem CID155908521
Molecular FormulaC13H9N3O5
Molecular Weight287.23 g/mol
Exact Mass287.05
IUPAC Name9-methoxy-3,6-dinitrocarbazole
SMILESCOn1c2ccc([N+](=O)[O-])cc2c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C13H9N3O5/c1-21-14-12-4-2-8(15(17)18)6-10(12)11-7-9(16(19)20)3-5-13(11)14/h2-7H,1H3
InChIKeyVKEVHAWVNCNFCD-UHFFFAOYSA-N
XLogP2.67
TPSA100.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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3-nitro-9-phenylcarbazole;9-phenylcarbazole
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9-benzyl-3,6-dinitrocarbazole
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9-methyl-6-nitrocarbazole-3-carbaldehyde
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3-nitro-9-(4-nitrophenyl)carbazole
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2-(3-methoxy-5-nitroindazol-1-yl)-N,N-dimethylethanamine
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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-3,6-dinitrocarbazole?
The IUPAC name of 9-methoxy-3,6-dinitrocarbazole (CID 155908521) is 9-methoxy-3,6-dinitrocarbazole.
What is the SMILES notation for 9-methoxy-3,6-dinitrocarbazole?
The canonical SMILES for 9-methoxy-3,6-dinitrocarbazole is COn1c2ccc([N+](=O)[O-])cc2c2cc([N+](=O)[O-])ccc21.
What is the InChIKey of 9-methoxy-3,6-dinitrocarbazole?
The InChIKey is VKEVHAWVNCNFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O5/c1-21-14-12-4-2-8(15(17)18)6-10(12)11-7-9(16(19)20)3-5-13(11)14/h2-7H,1H3.
What are the key properties of 9-methoxy-3,6-dinitrocarbazole?
9-methoxy-3,6-dinitrocarbazole has a molecular weight of 287.23 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-3,6-dinitrocarbazole is sourced from PubChem (CID 155908521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).