7-amino-8,9-dimethyl-6-nitrocarbazol-3-ol

C14H13N3O3 — CID 71415856

IUPAC7-amino-8,9-dimethyl-6-nitrocarbazol-3-ol
SMILESCc1c(N)c([N+](=O)[O-])cc2c3cc(O)ccc3n(C)c12
InChIInChI=1S/C14H13N3O3/c1-7-13(15)12(17(19)20)6-10-9-5-8(18)3-4-11(9)16(2)14(7)10/h3-6,18H,15H2,1-2H3
InChIKeyUKYZESYLQPUGPM-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.84
Rot. Bonds1

About 7-amino-8,9-dimethyl-6-nitrocarbazol-3-ol

7-amino-8,9-dimethyl-6-nitrocarbazol-3-ol (PubChem CID 71415856) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 7-amino-8,9-dimethyl-6-nitrocarbazol-3-ol.

Molecular Properties

Compound Name7-amino-8,9-dimethyl-6-nitrocarbazol-3-ol
PubChem CID71415856
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name7-amino-8,9-dimethyl-6-nitrocarbazol-3-ol
SMILESCc1c(N)c([N+](=O)[O-])cc2c3cc(O)ccc3n(C)c12
InChIInChI=1S/C14H13N3O3/c1-7-13(15)12(17(19)20)6-10-9-5-8(18)3-4-11(9)16(2)14(7)10/h3-6,18H,15H2,1-2H3
InChIKeyUKYZESYLQPUGPM-UHFFFAOYSA-N
XLogP2.84
TPSA94.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-amino-8,9-dimethyl-6-nitrocarbazol-3-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-amino-8,9-dimethyl-6-nitrocarbazol-3-ol?
The IUPAC name of 7-amino-8,9-dimethyl-6-nitrocarbazol-3-ol (CID 71415856) is 7-amino-8,9-dimethyl-6-nitrocarbazol-3-ol.
What is the SMILES notation for 7-amino-8,9-dimethyl-6-nitrocarbazol-3-ol?
The canonical SMILES for 7-amino-8,9-dimethyl-6-nitrocarbazol-3-ol is Cc1c(N)c([N+](=O)[O-])cc2c3cc(O)ccc3n(C)c12.
What is the InChIKey of 7-amino-8,9-dimethyl-6-nitrocarbazol-3-ol?
The InChIKey is UKYZESYLQPUGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-7-13(15)12(17(19)20)6-10-9-5-8(18)3-4-11(9)16(2)14(7)10/h3-6,18H,15H2,1-2H3.
What are the key properties of 7-amino-8,9-dimethyl-6-nitrocarbazol-3-ol?
7-amino-8,9-dimethyl-6-nitrocarbazol-3-ol has a molecular weight of 271.28 g/mol, XLogP of 2.84, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-8,9-dimethyl-6-nitrocarbazol-3-ol is sourced from PubChem (CID 71415856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).