9-nitropyrido[3,4-b]indole;hydrochloride

C11H8ClN3O2 — CID 22185253

IUPAC9-nitropyrido[3,4-b]indole;hydrochloride
SMILESCl.O=[N+]([O-])n1c2ccccc2c2ccncc21
InChIInChI=1S/C11H7N3O2.ClH/c15-14(16)13-10-4-2-1-3-8(10)9-5-6-12-7-11(9)13;/h1-7H;1H
InChIKeyPWMSFQKJBXWZAY-UHFFFAOYSA-N
MW249.66 g/mol
LogP2.65
Rot. Bonds1

About 9-nitropyrido[3,4-b]indole;hydrochloride

9-nitropyrido[3,4-b]indole;hydrochloride (PubChem CID 22185253) has the molecular formula C11H8ClN3O2 and a molecular weight of 249.66 g/mol. Its IUPAC name is 9-nitropyrido[3,4-b]indole;hydrochloride.

Molecular Properties

Compound Name9-nitropyrido[3,4-b]indole;hydrochloride
PubChem CID22185253
Molecular FormulaC11H8ClN3O2
Molecular Weight249.66 g/mol
Exact Mass249.03
IUPAC Name9-nitropyrido[3,4-b]indole;hydrochloride
SMILESCl.O=[N+]([O-])n1c2ccccc2c2ccncc21
InChIInChI=1S/C11H7N3O2.ClH/c15-14(16)13-10-4-2-1-3-8(10)9-5-6-12-7-11(9)13;/h1-7H;1H
InChIKeyPWMSFQKJBXWZAY-UHFFFAOYSA-N
XLogP2.65
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.66
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9-nitropyrido[3,4-b]indole;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-nitropyrido[3,4-b]indole;hydrochloride?
The IUPAC name of 9-nitropyrido[3,4-b]indole;hydrochloride (CID 22185253) is 9-nitropyrido[3,4-b]indole;hydrochloride.
What is the SMILES notation for 9-nitropyrido[3,4-b]indole;hydrochloride?
The canonical SMILES for 9-nitropyrido[3,4-b]indole;hydrochloride is Cl.O=[N+]([O-])n1c2ccccc2c2ccncc21.
What is the InChIKey of 9-nitropyrido[3,4-b]indole;hydrochloride?
The InChIKey is PWMSFQKJBXWZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O2.ClH/c15-14(16)13-10-4-2-1-3-8(10)9-5-6-12-7-11(9)13;/h1-7H;1H.
What are the key properties of 9-nitropyrido[3,4-b]indole;hydrochloride?
9-nitropyrido[3,4-b]indole;hydrochloride has a molecular weight of 249.66 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-nitropyrido[3,4-b]indole;hydrochloride is sourced from PubChem (CID 22185253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).