3-nitroacridin-9-amine

C13H9N3O2 — CID 26592

IUPAC3-nitroacridin-9-amine
SMILESNc1c2ccccc2nc2cc([N+](=O)[O-])ccc12
InChIInChI=1S/C13H9N3O2/c14-13-9-3-1-2-4-11(9)15-12-7-8(16(17)18)5-6-10(12)13/h1-7H,(H2,14,15)
InChIKeyRFGXJQLQGRJKMD-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.88
Rot. Bonds1

About 3-nitroacridin-9-amine

3-nitroacridin-9-amine (PubChem CID 26592) has the molecular formula C13H9N3O2 and a molecular weight of 239.23 g/mol. Its IUPAC name is 3-nitroacridin-9-amine.

Molecular Properties

Compound Name3-nitroacridin-9-amine
PubChem CID26592
Molecular FormulaC13H9N3O2
Molecular Weight239.23 g/mol
Exact Mass239.07
IUPAC Name3-nitroacridin-9-amine
SMILESNc1c2ccccc2nc2cc([N+](=O)[O-])ccc12
InChIInChI=1S/C13H9N3O2/c14-13-9-3-1-2-4-11(9)15-12-7-8(16(17)18)5-6-10(12)13/h1-7H,(H2,14,15)
InChIKeyRFGXJQLQGRJKMD-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': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

8-nitrophenanthridin-6-amine
CID 90682315
3,6-dinitroacridine-9-carbonitrile
CID 118429042
2-methyl-6-nitroquinolin-4-amine
CID 11735841
2-[(acridin-9-ylamino)methyl]-4-nitrophenol
CID 45103228
1,3-dinitrophenazine
CID 78388402
2,4-dichloro-7-nitroquinazoline
CID 12703362
3-nitroanthracen-9-ol
CID 22457424
2-naphthalen-1-yl-5-nitroaniline
CID 141327222
4-(2,4-dinitrophenyl)-2-phenylquinazoline
CID 3744800
3-nitrocinnolin-4-amine
CID 12647462
2-amino-5-nitrophenol;naphthalen-2-ol
CID 23314581
6-[(4-nitrophenyl)methyl]phenanthridine
CID 154722212

Frequently Asked Questions

What is the IUPAC name of 3-nitroacridin-9-amine?
The IUPAC name of 3-nitroacridin-9-amine (CID 26592) is 3-nitroacridin-9-amine.
What is the SMILES notation for 3-nitroacridin-9-amine?
The canonical SMILES for 3-nitroacridin-9-amine is Nc1c2ccccc2nc2cc([N+](=O)[O-])ccc12.
What is the InChIKey of 3-nitroacridin-9-amine?
The InChIKey is RFGXJQLQGRJKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2/c14-13-9-3-1-2-4-11(9)15-12-7-8(16(17)18)5-6-10(12)13/h1-7H,(H2,14,15).
What are the key properties of 3-nitroacridin-9-amine?
3-nitroacridin-9-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 3-nitroacridin-9-amine is sourced from PubChem (CID 26592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).