3-bromo-N-pyridin-4-ylcarbazol-9-amine

C17H12BrN3 — CID 14536466

IUPAC3-bromo-N-pyridin-4-ylcarbazol-9-amine
SMILESBrc1ccc2c(c1)c1ccccc1n2Nc1ccncc1
InChIInChI=1S/C17H12BrN3/c18-12-5-6-17-15(11-12)14-3-1-2-4-16(14)21(17)20-13-7-9-19-10-8-13/h1-11H,(H,19,20)
InChIKeyOHPRUJTVMXMABT-UHFFFAOYSA-N
MW338.21 g/mol
LogP4.83
Rot. Bonds2

About 3-bromo-N-pyridin-4-ylcarbazol-9-amine

3-bromo-N-pyridin-4-ylcarbazol-9-amine (PubChem CID 14536466) has the molecular formula C17H12BrN3 and a molecular weight of 338.21 g/mol. Its IUPAC name is 3-bromo-N-pyridin-4-ylcarbazol-9-amine.

Molecular Properties

Compound Name3-bromo-N-pyridin-4-ylcarbazol-9-amine
PubChem CID14536466
Molecular FormulaC17H12BrN3
Molecular Weight338.21 g/mol
Exact Mass337.02
IUPAC Name3-bromo-N-pyridin-4-ylcarbazol-9-amine
SMILESBrc1ccc2c(c1)c1ccccc1n2Nc1ccncc1
InChIInChI=1S/C17H12BrN3/c18-12-5-6-17-15(11-12)14-3-1-2-4-16(14)21(17)20-13-7-9-19-10-8-13/h1-11H,(H,19,20)
InChIKeyOHPRUJTVMXMABT-UHFFFAOYSA-N
XLogP4.83
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-bromo-N-pyridin-4-ylcarbazol-9-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 3-bromo-N-pyridin-4-ylcarbazol-9-amine?
The IUPAC name of 3-bromo-N-pyridin-4-ylcarbazol-9-amine (CID 14536466) is 3-bromo-N-pyridin-4-ylcarbazol-9-amine.
What is the SMILES notation for 3-bromo-N-pyridin-4-ylcarbazol-9-amine?
The canonical SMILES for 3-bromo-N-pyridin-4-ylcarbazol-9-amine is Brc1ccc2c(c1)c1ccccc1n2Nc1ccncc1.
What is the InChIKey of 3-bromo-N-pyridin-4-ylcarbazol-9-amine?
The InChIKey is OHPRUJTVMXMABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN3/c18-12-5-6-17-15(11-12)14-3-1-2-4-16(14)21(17)20-13-7-9-19-10-8-13/h1-11H,(H,19,20).
What are the key properties of 3-bromo-N-pyridin-4-ylcarbazol-9-amine?
3-bromo-N-pyridin-4-ylcarbazol-9-amine has a molecular weight of 338.21 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-pyridin-4-ylcarbazol-9-amine is sourced from PubChem (CID 14536466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).