6-bromo-N-pyridin-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine

C17H16BrN3 — CID 11451768

IUPAC6-bromo-N-pyridin-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESBrc1ccc2[nH]c3c(c2c1)CCCC3Nc1ccccn1
InChIInChI=1S/C17H16BrN3/c18-11-7-8-14-13(10-11)12-4-3-5-15(17(12)21-14)20-16-6-1-2-9-19-16/h1-2,6-10,15,21H,3-5H2,(H,19,20)
InChIKeyAXSGAGOQUCLGNJ-UHFFFAOYSA-N
MW342.24 g/mol
LogP4.81
Rot. Bonds2

About 6-bromo-N-pyridin-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine

6-bromo-N-pyridin-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine (PubChem CID 11451768) has the molecular formula C17H16BrN3 and a molecular weight of 342.24 g/mol. Its IUPAC name is 6-bromo-N-pyridin-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine.

Molecular Properties

Compound Name6-bromo-N-pyridin-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
PubChem CID11451768
Molecular FormulaC17H16BrN3
Molecular Weight342.24 g/mol
Exact Mass341.05
IUPAC Name6-bromo-N-pyridin-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESBrc1ccc2[nH]c3c(c2c1)CCCC3Nc1ccccn1
InChIInChI=1S/C17H16BrN3/c18-11-7-8-14-13(10-11)12-4-3-5-15(17(12)21-14)20-16-6-1-2-9-19-16/h1-2,6-10,15,21H,3-5H2,(H,19,20)
InChIKeyAXSGAGOQUCLGNJ-UHFFFAOYSA-N
XLogP4.81
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 6-bromo-N-pyridin-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine 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 6-bromo-N-pyridin-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The IUPAC name of 6-bromo-N-pyridin-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine (CID 11451768) is 6-bromo-N-pyridin-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine.
What is the SMILES notation for 6-bromo-N-pyridin-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The canonical SMILES for 6-bromo-N-pyridin-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine is Brc1ccc2[nH]c3c(c2c1)CCCC3Nc1ccccn1.
What is the InChIKey of 6-bromo-N-pyridin-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The InChIKey is AXSGAGOQUCLGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3/c18-11-7-8-14-13(10-11)12-4-3-5-15(17(12)21-14)20-16-6-1-2-9-19-16/h1-2,6-10,15,21H,3-5H2,(H,19,20).
What are the key properties of 6-bromo-N-pyridin-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
6-bromo-N-pyridin-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine has a molecular weight of 342.24 g/mol, XLogP of 4.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-pyridin-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine is sourced from PubChem (CID 11451768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).