5-methyl-8-nitropyrido[4,3-b]indole

C12H9N3O2 — CID 693871

IUPAC5-methyl-8-nitropyrido[4,3-b]indole
SMILESCn1c2ccncc2c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C12H9N3O2/c1-14-11-3-2-8(15(16)17)6-9(11)10-7-13-5-4-12(10)14/h2-7H,1H3
InChIKeyKKAZBBJRXDFIAA-UHFFFAOYSA-N
MW227.22 g/mol
LogP2.63
Rot. Bonds1

About 5-methyl-8-nitropyrido[4,3-b]indole

5-methyl-8-nitropyrido[4,3-b]indole (PubChem CID 693871) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is 5-methyl-8-nitropyrido[4,3-b]indole.

Molecular Properties

Compound Name5-methyl-8-nitropyrido[4,3-b]indole
PubChem CID693871
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name5-methyl-8-nitropyrido[4,3-b]indole
SMILESCn1c2ccncc2c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C12H9N3O2/c1-14-11-3-2-8(15(16)17)6-9(11)10-7-13-5-4-12(10)14/h2-7H,1H3
InChIKeyKKAZBBJRXDFIAA-UHFFFAOYSA-N
XLogP2.63
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 52.63
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 5-methyl-8-nitropyrido[4,3-b]indole?
The IUPAC name of 5-methyl-8-nitropyrido[4,3-b]indole (CID 693871) is 5-methyl-8-nitropyrido[4,3-b]indole.
What is the SMILES notation for 5-methyl-8-nitropyrido[4,3-b]indole?
The canonical SMILES for 5-methyl-8-nitropyrido[4,3-b]indole is Cn1c2ccncc2c2cc([N+](=O)[O-])ccc21.
What is the InChIKey of 5-methyl-8-nitropyrido[4,3-b]indole?
The InChIKey is KKAZBBJRXDFIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c1-14-11-3-2-8(15(16)17)6-9(11)10-7-13-5-4-12(10)14/h2-7H,1H3.
What are the key properties of 5-methyl-8-nitropyrido[4,3-b]indole?
5-methyl-8-nitropyrido[4,3-b]indole has a molecular weight of 227.22 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-8-nitropyrido[4,3-b]indole is sourced from PubChem (CID 693871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).