5-amino-8-nitronaphthalene-1-carbonitrile

C11H7N3O2 — CID 10353154

IUPAC5-amino-8-nitronaphthalene-1-carbonitrile
SMILESN#Cc1cccc2c(N)ccc([N+](=O)[O-])c12
InChIInChI=1S/C11H7N3O2/c12-6-7-2-1-3-8-9(13)4-5-10(11(7)8)14(15)16/h1-5H,13H2
InChIKeyUQSNQXWWKBQDAJ-UHFFFAOYSA-N
MW213.20 g/mol
LogP2.20
Rot. Bonds1

About 5-amino-8-nitronaphthalene-1-carbonitrile

5-amino-8-nitronaphthalene-1-carbonitrile (PubChem CID 10353154) has the molecular formula C11H7N3O2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 5-amino-8-nitronaphthalene-1-carbonitrile.

Molecular Properties

Compound Name5-amino-8-nitronaphthalene-1-carbonitrile
PubChem CID10353154
Molecular FormulaC11H7N3O2
Molecular Weight213.20 g/mol
Exact Mass213.05
IUPAC Name5-amino-8-nitronaphthalene-1-carbonitrile
SMILESN#Cc1cccc2c(N)ccc([N+](=O)[O-])c12
InChIInChI=1S/C11H7N3O2/c12-6-7-2-1-3-8-9(13)4-5-10(11(7)8)14(15)16/h1-5H,13H2
InChIKeyUQSNQXWWKBQDAJ-UHFFFAOYSA-N
XLogP2.20
TPSA92.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-8-nitronaphthalene-1-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

N-(5-cyano-4-nitronaphthalen-1-yl)acetamide
CID 10264330
4-amino-3-nitronaphthalene-1-carbonitrile
CID 14678709
1,5,9-trinitrotriphenylene
CID 86227277
1-(chloromethyl)-5-nitro-2,3-dihydro-1H-benzo[e]indole-6-carbonitrile
CID 44549275
2-fluoro-3-nitrobenzonitrile
CID 23291017
5-amino-2-nitrobenzonitrile
CID 53400683
2,3-dinitrobenzonitrile;hydrochloride
CID 19591333
3-nitro-2-sulfanylbenzonitrile
CID 91874106
3-amino-4-nitrobenzonitrile
CID 11491982
4-amino-3-nitrobenzonitrile
CID 595901
3-amino-2-(cyanomethyl)-6-nitrobenzonitrile
CID 171014437
5-chloro-4-methyl-8-nitronaphthalene-1-carbonitrile
CID 10014828

Frequently Asked Questions

What is the IUPAC name of 5-amino-8-nitronaphthalene-1-carbonitrile?
The IUPAC name of 5-amino-8-nitronaphthalene-1-carbonitrile (CID 10353154) is 5-amino-8-nitronaphthalene-1-carbonitrile.
What is the SMILES notation for 5-amino-8-nitronaphthalene-1-carbonitrile?
The canonical SMILES for 5-amino-8-nitronaphthalene-1-carbonitrile is N#Cc1cccc2c(N)ccc([N+](=O)[O-])c12.
What is the InChIKey of 5-amino-8-nitronaphthalene-1-carbonitrile?
The InChIKey is UQSNQXWWKBQDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O2/c12-6-7-2-1-3-8-9(13)4-5-10(11(7)8)14(15)16/h1-5H,13H2.
What are the key properties of 5-amino-8-nitronaphthalene-1-carbonitrile?
5-amino-8-nitronaphthalene-1-carbonitrile has a molecular weight of 213.20 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-8-nitronaphthalene-1-carbonitrile is sourced from PubChem (CID 10353154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).