6-nitro-9H-carbazol-3-amine

C12H9N3O2 — CID 175861785

IUPAC6-nitro-9H-carbazol-3-amine
SMILESNc1ccc2[nH]c3ccc([N+](=O)[O-])cc3c2c1
InChIInChI=1S/C12H9N3O2/c13-7-1-3-11-9(5-7)10-6-8(15(16)17)2-4-12(10)14-11/h1-6,14H,13H2
InChIKeyFSZOOZCEPQIOGQ-UHFFFAOYSA-N
MW227.22 g/mol
LogP2.81
Rot. Bonds1

About 6-nitro-9H-carbazol-3-amine

6-nitro-9H-carbazol-3-amine (PubChem CID 175861785) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is 6-nitro-9H-carbazol-3-amine.

Molecular Properties

Compound Name6-nitro-9H-carbazol-3-amine
PubChem CID175861785
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name6-nitro-9H-carbazol-3-amine
SMILESNc1ccc2[nH]c3ccc([N+](=O)[O-])cc3c2c1
InChIInChI=1S/C12H9N3O2/c13-7-1-3-11-9(5-7)10-6-8(15(16)17)2-4-12(10)14-11/h1-6,14H,13H2
InChIKeyFSZOOZCEPQIOGQ-UHFFFAOYSA-N
XLogP2.81
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 52.81
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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Related Compounds

3-methyl-6-nitro-9H-carbazole
CID 58160212
3,8-dinitro-11,12-dihydroindolo[2,3-a]carbazole
CID 11653124
9H-carbazole-3,6-diamine;dihydrochloride
CID 131882609
2,3-difluoro-5-nitro-1H-indole
CID 100933686
3-bromo-2H-indazol-5-amine;3-bromo-5-nitro-2H-indazole
CID 159473762
6-amino-3H-1,3-benzoxazol-2-one;6-nitro-3H-1,3-benzoxazol-2-one
CID 157138792
1-chloro-6-nitro-9H-carbazole
CID 163637234
9H-carbazole;9H-carbazole-3,6-diamine
CID 161182207
8-nitrotetracen-2-amine
CID 101022943
2-nitro-10H-acridin-9-one;sulfuryl dichloride
CID 159861980
4-hydroxy-3,6-dinitro-1H-quinolin-2-one
CID 54696471
methyl 4-amino-6-nitro-2-oxo-1H-quinoline-3-carboxylate
CID 14663488

Frequently Asked Questions

What is the IUPAC name of 6-nitro-9H-carbazol-3-amine?
The IUPAC name of 6-nitro-9H-carbazol-3-amine (CID 175861785) is 6-nitro-9H-carbazol-3-amine.
What is the SMILES notation for 6-nitro-9H-carbazol-3-amine?
The canonical SMILES for 6-nitro-9H-carbazol-3-amine is Nc1ccc2[nH]c3ccc([N+](=O)[O-])cc3c2c1.
What is the InChIKey of 6-nitro-9H-carbazol-3-amine?
The InChIKey is FSZOOZCEPQIOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c13-7-1-3-11-9(5-7)10-6-8(15(16)17)2-4-12(10)14-11/h1-6,14H,13H2.
What are the key properties of 6-nitro-9H-carbazol-3-amine?
6-nitro-9H-carbazol-3-amine has a molecular weight of 227.22 g/mol, XLogP of 2.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-9H-carbazol-3-amine is sourced from PubChem (CID 175861785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).