8-nitrophenanthridin-6-amine

C13H9N3O2 — CID 90682315

IUPAC8-nitrophenanthridin-6-amine
SMILESNc1nc2ccccc2c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C13H9N3O2/c14-13-11-7-8(16(17)18)5-6-9(11)10-3-1-2-4-12(10)15-13/h1-7H,(H2,14,15)
InChIKeyVKIRTDJTCNBLME-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.88
Rot. Bonds1

About 8-nitrophenanthridin-6-amine

8-nitrophenanthridin-6-amine (PubChem CID 90682315) has the molecular formula C13H9N3O2 and a molecular weight of 239.23 g/mol. Its IUPAC name is 8-nitrophenanthridin-6-amine.

Molecular Properties

Compound Name8-nitrophenanthridin-6-amine
PubChem CID90682315
Molecular FormulaC13H9N3O2
Molecular Weight239.23 g/mol
Exact Mass239.07
IUPAC Name8-nitrophenanthridin-6-amine
SMILESNc1nc2ccccc2c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C13H9N3O2/c14-13-11-7-8(16(17)18)5-6-9(11)10-3-1-2-4-12(10)15-13/h1-7H,(H2,14,15)
InChIKeyVKIRTDJTCNBLME-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

3-nitroacridin-9-amine
CID 26592
6-[(4-nitrophenyl)methyl]phenanthridine
CID 154722212
2-methyl-6-nitroquinolin-4-amine
CID 11735841
2-nitrophenanthridine
CID 15065495
6-nitro-2-[3-(6-nitro-4-phenylquinolin-2-yl)phenyl]-4-phenylquinoline
CID 10650785
2-amino-3-nitroquinoline-4-sulfonamide
CID 19034738
5-fluoro-18-nitrohexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene
CID 102487100
2-(6-nitroquinolin-2-yl)oxyaniline
CID 61028337
4-(3-nitrophenanthridin-9-yl)aniline
CID 154205991
2-methyl-4-(5-nitro-2,3-dihydroindol-1-yl)quinazoline
CID 143177758
1-(2-amino-3-nitroquinolin-4-yl)ethanone
CID 19034766
2-methyl-6-nitro-4-phenylquinazoline
CID 4662097

Frequently Asked Questions

What is the IUPAC name of 8-nitrophenanthridin-6-amine?
The IUPAC name of 8-nitrophenanthridin-6-amine (CID 90682315) is 8-nitrophenanthridin-6-amine.
What is the SMILES notation for 8-nitrophenanthridin-6-amine?
The canonical SMILES for 8-nitrophenanthridin-6-amine is Nc1nc2ccccc2c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of 8-nitrophenanthridin-6-amine?
The InChIKey is VKIRTDJTCNBLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2/c14-13-11-7-8(16(17)18)5-6-9(11)10-3-1-2-4-12(10)15-13/h1-7H,(H2,14,15).
What are the key properties of 8-nitrophenanthridin-6-amine?
8-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 8-nitrophenanthridin-6-amine is sourced from PubChem (CID 90682315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).