benzo[b][1,5]naphthyridine;pyridine

C17H13N3 — CID 175337772

IUPACbenzo[b][1,5]naphthyridine;pyridine
SMILESc1ccc2nc3cccnc3cc2c1.c1ccncc1
InChIInChI=1S/C12H8N2.C5H5N/c1-2-5-10-9(4-1)8-12-11(14-10)6-3-7-13-12;1-2-4-6-5-3-1/h1-8H;1-5H
InChIKeyZSHBAMRMFNBTFR-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.86
Rot. Bonds

About benzo[b][1,5]naphthyridine;pyridine

benzo[b][1,5]naphthyridine;pyridine (PubChem CID 175337772) has the molecular formula C17H13N3 and a molecular weight of 259.31 g/mol. Its IUPAC name is benzo[b][1,5]naphthyridine;pyridine.

Molecular Properties

Compound Namebenzo[b][1,5]naphthyridine;pyridine
PubChem CID175337772
Molecular FormulaC17H13N3
Molecular Weight259.31 g/mol
Exact Mass259.11
IUPAC Namebenzo[b][1,5]naphthyridine;pyridine
SMILESc1ccc2nc3cccnc3cc2c1.c1ccncc1
InChIInChI=1S/C12H8N2.C5H5N/c1-2-5-10-9(4-1)8-12-11(14-10)6-3-7-13-12;1-2-4-6-5-3-1/h1-8H;1-5H
InChIKeyZSHBAMRMFNBTFR-UHFFFAOYSA-N
XLogP3.86
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze benzo[b][1,5]naphthyridine;pyridine 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 benzo[b][1,5]naphthyridine;pyridine?
The IUPAC name of benzo[b][1,5]naphthyridine;pyridine (CID 175337772) is benzo[b][1,5]naphthyridine;pyridine.
What is the SMILES notation for benzo[b][1,5]naphthyridine;pyridine?
The canonical SMILES for benzo[b][1,5]naphthyridine;pyridine is c1ccc2nc3cccnc3cc2c1.c1ccncc1.
What is the InChIKey of benzo[b][1,5]naphthyridine;pyridine?
The InChIKey is ZSHBAMRMFNBTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2.C5H5N/c1-2-5-10-9(4-1)8-12-11(14-10)6-3-7-13-12;1-2-4-6-5-3-1/h1-8H;1-5H.
What are the key properties of benzo[b][1,5]naphthyridine;pyridine?
benzo[b][1,5]naphthyridine;pyridine has a molecular weight of 259.31 g/mol, XLogP of 3.86, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[b][1,5]naphthyridine;pyridine is sourced from PubChem (CID 175337772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).