10-bromophenanthro[9,10-b]pyrazine

C16H9BrN2 — CID 58224572

IUPAC10-bromophenanthro[9,10-b]pyrazine
SMILESBrc1ccc2c(c1)c1ccccc1c1nccnc21
InChIInChI=1S/C16H9BrN2/c17-10-5-6-13-14(9-10)11-3-1-2-4-12(11)15-16(13)19-8-7-18-15/h1-9H
InChIKeyKXYKBLDZTGRHAC-UHFFFAOYSA-N
MW309.17 g/mol
LogP4.70
Rot. Bonds

About 10-bromophenanthro[9,10-b]pyrazine

10-bromophenanthro[9,10-b]pyrazine (PubChem CID 58224572) has the molecular formula C16H9BrN2 and a molecular weight of 309.17 g/mol. Its IUPAC name is 10-bromophenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name10-bromophenanthro[9,10-b]pyrazine
PubChem CID58224572
Molecular FormulaC16H9BrN2
Molecular Weight309.17 g/mol
Exact Mass307.99
IUPAC Name10-bromophenanthro[9,10-b]pyrazine
SMILESBrc1ccc2c(c1)c1ccccc1c1nccnc21
InChIInChI=1S/C16H9BrN2/c17-10-5-6-13-14(9-10)11-3-1-2-4-12(11)15-16(13)19-8-7-18-15/h1-9H
InChIKeyKXYKBLDZTGRHAC-UHFFFAOYSA-N
XLogP4.70
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 10-bromophenanthro[9,10-b]pyrazine 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 10-bromophenanthro[9,10-b]pyrazine?
The IUPAC name of 10-bromophenanthro[9,10-b]pyrazine (CID 58224572) is 10-bromophenanthro[9,10-b]pyrazine.
What is the SMILES notation for 10-bromophenanthro[9,10-b]pyrazine?
The canonical SMILES for 10-bromophenanthro[9,10-b]pyrazine is Brc1ccc2c(c1)c1ccccc1c1nccnc21.
What is the InChIKey of 10-bromophenanthro[9,10-b]pyrazine?
The InChIKey is KXYKBLDZTGRHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrN2/c17-10-5-6-13-14(9-10)11-3-1-2-4-12(11)15-16(13)19-8-7-18-15/h1-9H.
What are the key properties of 10-bromophenanthro[9,10-b]pyrazine?
10-bromophenanthro[9,10-b]pyrazine has a molecular weight of 309.17 g/mol, XLogP of 4.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-bromophenanthro[9,10-b]pyrazine is sourced from PubChem (CID 58224572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).