7-nitro-1H-indol-4-amine

C8H7N3O2 — CID 83816689

IUPAC7-nitro-1H-indol-4-amine
SMILESNc1ccc([N+](=O)[O-])c2[nH]ccc12
InChIInChI=1S/C8H7N3O2/c9-6-1-2-7(11(12)13)8-5(6)3-4-10-8/h1-4,10H,9H2
InChIKeyJPOQQWLLVHXPHF-UHFFFAOYSA-N
MW177.16 g/mol
LogP1.66
Rot. Bonds1

About 7-nitro-1H-indol-4-amine

7-nitro-1H-indol-4-amine (PubChem CID 83816689) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 7-nitro-1H-indol-4-amine.

Molecular Properties

Compound Name7-nitro-1H-indol-4-amine
PubChem CID83816689
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name7-nitro-1H-indol-4-amine
SMILESNc1ccc([N+](=O)[O-])c2[nH]ccc12
InChIInChI=1S/C8H7N3O2/c9-6-1-2-7(11(12)13)8-5(6)3-4-10-8/h1-4,10H,9H2
InChIKeyJPOQQWLLVHXPHF-UHFFFAOYSA-N
XLogP1.66
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 7-nitro-1H-indol-4-amine 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

7-methyl-4-nitro-1H-indole
CID 21218311
5-chloro-8-nitro-1H-quinolin-4-one
CID 19592294
4,7-dimethoxy-5-nitro-1H-indole
CID 83822743
2,5-dimethyl-3-nitroaniline;6-methyl-4-nitro-1H-indole
CID 157280625
7-nitro-3H-benzimidazole-2,4-diamine
CID 137243204
5-fluoro-8-nitro-2H-isoquinolin-1-one
CID 82572142
5-bromo-8-nitro-2H-isoquinolin-1-one
CID 82572170
8-chloro-5-nitro-2H-isoquinolin-1-one
CID 82572145
(4-amino-1H-indol-7-yl)methanol
CID 123789224
4-(4-amino-3-nitrophenyl)-2-nitroaniline
CID 3106720
7-nitro-1H-indole;2-nitrophenol
CID 159038784
5-amino-8-nitronaphthalene-1-carbonitrile
CID 10353154

Frequently Asked Questions

What is the IUPAC name of 7-nitro-1H-indol-4-amine?
The IUPAC name of 7-nitro-1H-indol-4-amine (CID 83816689) is 7-nitro-1H-indol-4-amine.
What is the SMILES notation for 7-nitro-1H-indol-4-amine?
The canonical SMILES for 7-nitro-1H-indol-4-amine is Nc1ccc([N+](=O)[O-])c2[nH]ccc12.
What is the InChIKey of 7-nitro-1H-indol-4-amine?
The InChIKey is JPOQQWLLVHXPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c9-6-1-2-7(11(12)13)8-5(6)3-4-10-8/h1-4,10H,9H2.
What are the key properties of 7-nitro-1H-indol-4-amine?
7-nitro-1H-indol-4-amine has a molecular weight of 177.16 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nitro-1H-indol-4-amine is sourced from PubChem (CID 83816689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).