7-nitrophenanthridin-6-amine

C13H9N3O2 — CID 90682314

IUPAC7-nitrophenanthridin-6-amine
SMILESNc1nc2ccccc2c2cccc([N+](=O)[O-])c12
InChIInChI=1S/C13H9N3O2/c14-13-12-9(5-3-7-11(12)16(17)18)8-4-1-2-6-10(8)15-13/h1-7H,(H2,14,15)
InChIKeySTWAVKJTJJYRDO-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.88
Rot. Bonds1

About 7-nitrophenanthridin-6-amine

7-nitrophenanthridin-6-amine (PubChem CID 90682314) has the molecular formula C13H9N3O2 and a molecular weight of 239.23 g/mol. Its IUPAC name is 7-nitrophenanthridin-6-amine.

Molecular Properties

Compound Name7-nitrophenanthridin-6-amine
PubChem CID90682314
Molecular FormulaC13H9N3O2
Molecular Weight239.23 g/mol
Exact Mass239.07
IUPAC Name7-nitrophenanthridin-6-amine
SMILESNc1nc2ccccc2c2cccc([N+](=O)[O-])c12
InChIInChI=1S/C13H9N3O2/c14-13-12-9(5-3-7-11(12)16(17)18)8-4-1-2-6-10(8)15-13/h1-7H,(H2,14,15)
InChIKeySTWAVKJTJJYRDO-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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Related Compounds

CID 5376617
CID 5376617
CID 53312
CID 53312
CID 252163
CID 252163
CID 47484
CID 47484
CID 10083133
CID 10083133
CID 160547
CID 160547
CID 490662
CID 490662
CID 121231447
CID 121231447
CID 11287987
CID 11287987
CID 674336
CID 674336
CID 2927831
CID 2927831
CID 1559438
CID 1559438

Frequently Asked Questions

What is the IUPAC name of 7-nitrophenanthridin-6-amine?
The IUPAC name of 7-nitrophenanthridin-6-amine (CID 90682314) is 7-nitrophenanthridin-6-amine.
What is the SMILES notation for 7-nitrophenanthridin-6-amine?
The canonical SMILES for 7-nitrophenanthridin-6-amine is Nc1nc2ccccc2c2cccc([N+](=O)[O-])c12.
What is the InChIKey of 7-nitrophenanthridin-6-amine?
The InChIKey is STWAVKJTJJYRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2/c14-13-12-9(5-3-7-11(12)16(17)18)8-4-1-2-6-10(8)15-13/h1-7H,(H2,14,15).
What are the key properties of 7-nitrophenanthridin-6-amine?
7-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 7-nitrophenanthridin-6-amine is sourced from PubChem (CID 90682314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).