9-nitrophenanthridin-6-amine

C13H9N3O2 — CID 90682316

IUPAC9-nitrophenanthridin-6-amine
SMILESNc1nc2ccccc2c2cc([N+](=O)[O-])ccc12
InChIInChI=1S/C13H9N3O2/c14-13-10-6-5-8(16(17)18)7-11(10)9-3-1-2-4-12(9)15-13/h1-7H,(H2,14,15)
InChIKeyZJDXJUUJRXOBSZ-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.88
Rot. Bonds1

About 9-nitrophenanthridin-6-amine

9-nitrophenanthridin-6-amine (PubChem CID 90682316) has the molecular formula C13H9N3O2 and a molecular weight of 239.23 g/mol. Its IUPAC name is 9-nitrophenanthridin-6-amine.

Molecular Properties

Compound Name9-nitrophenanthridin-6-amine
PubChem CID90682316
Molecular FormulaC13H9N3O2
Molecular Weight239.23 g/mol
Exact Mass239.07
IUPAC Name9-nitrophenanthridin-6-amine
SMILESNc1nc2ccccc2c2cc([N+](=O)[O-])ccc12
InChIInChI=1S/C13H9N3O2/c14-13-10-6-5-8(16(17)18)7-11(10)9-3-1-2-4-12(9)15-13/h1-7H,(H2,14,15)
InChIKeyZJDXJUUJRXOBSZ-UHFFFAOYSA-N
XLogP2.88
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.88
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-nitrophenanthridin-6-amine?
The IUPAC name of 9-nitrophenanthridin-6-amine (CID 90682316) is 9-nitrophenanthridin-6-amine.
What is the SMILES notation for 9-nitrophenanthridin-6-amine?
The canonical SMILES for 9-nitrophenanthridin-6-amine is Nc1nc2ccccc2c2cc([N+](=O)[O-])ccc12.
What is the InChIKey of 9-nitrophenanthridin-6-amine?
The InChIKey is ZJDXJUUJRXOBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2/c14-13-10-6-5-8(16(17)18)7-11(10)9-3-1-2-4-12(9)15-13/h1-7H,(H2,14,15).
What are the key properties of 9-nitrophenanthridin-6-amine?
9-nitrophenanthridin-6-amine has a molecular weight of 239.23 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-nitrophenanthridin-6-amine is sourced from PubChem (CID 90682316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).