3-nitro-1H-indol-6-amine

C8H7N3O2 — CID 90920092

IUPAC3-nitro-1H-indol-6-amine
SMILESNc1ccc2c([N+](=O)[O-])c[nH]c2c1
InChIInChI=1S/C8H7N3O2/c9-5-1-2-6-7(3-5)10-4-8(6)11(12)13/h1-4,10H,9H2
InChIKeyDDDQFQPLOWOIQP-UHFFFAOYSA-N
MW177.16 g/mol
LogP1.66
Rot. Bonds1

About 3-nitro-1H-indol-6-amine

3-nitro-1H-indol-6-amine (PubChem CID 90920092) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 3-nitro-1H-indol-6-amine.

Molecular Properties

Compound Name3-nitro-1H-indol-6-amine
PubChem CID90920092
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name3-nitro-1H-indol-6-amine
SMILESNc1ccc2c([N+](=O)[O-])c[nH]c2c1
InChIInChI=1S/C8H7N3O2/c9-5-1-2-6-7(3-5)10-4-8(6)11(12)13/h1-4,10H,9H2
InChIKeyDDDQFQPLOWOIQP-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'}

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Frequently Asked Questions

What is the IUPAC name of 3-nitro-1H-indol-6-amine?
The IUPAC name of 3-nitro-1H-indol-6-amine (CID 90920092) is 3-nitro-1H-indol-6-amine.
What is the SMILES notation for 3-nitro-1H-indol-6-amine?
The canonical SMILES for 3-nitro-1H-indol-6-amine is Nc1ccc2c([N+](=O)[O-])c[nH]c2c1.
What is the InChIKey of 3-nitro-1H-indol-6-amine?
The InChIKey is DDDQFQPLOWOIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c9-5-1-2-6-7(3-5)10-4-8(6)11(12)13/h1-4,10H,9H2.
What are the key properties of 3-nitro-1H-indol-6-amine?
3-nitro-1H-indol-6-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 3-nitro-1H-indol-6-amine is sourced from PubChem (CID 90920092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).