8-(3-nitrophenyl)-1,7-naphthyridine

C14H9N3O2 — CID 10682163

IUPAC8-(3-nitrophenyl)-1,7-naphthyridine
SMILESO=[N+]([O-])c1cccc(-c2nccc3cccnc23)c1
InChIInChI=1S/C14H9N3O2/c18-17(19)12-5-1-3-11(9-12)14-13-10(6-8-16-14)4-2-7-15-13/h1-9H
InChIKeyOMRFTRYPQRVACI-UHFFFAOYSA-N
MW251.25 g/mol
LogP3.20
Rot. Bonds2

About 8-(3-nitrophenyl)-1,7-naphthyridine

8-(3-nitrophenyl)-1,7-naphthyridine (PubChem CID 10682163) has the molecular formula C14H9N3O2 and a molecular weight of 251.25 g/mol. Its IUPAC name is 8-(3-nitrophenyl)-1,7-naphthyridine.

Molecular Properties

Compound Name8-(3-nitrophenyl)-1,7-naphthyridine
PubChem CID10682163
Molecular FormulaC14H9N3O2
Molecular Weight251.25 g/mol
Exact Mass251.07
IUPAC Name8-(3-nitrophenyl)-1,7-naphthyridine
SMILESO=[N+]([O-])c1cccc(-c2nccc3cccnc23)c1
InChIInChI=1S/C14H9N3O2/c18-17(19)12-5-1-3-11(9-12)14-13-10(6-8-16-14)4-2-7-15-13/h1-9H
InChIKeyOMRFTRYPQRVACI-UHFFFAOYSA-N
XLogP3.20
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 8-(3-nitrophenyl)-1,7-naphthyridine 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 8-(3-nitrophenyl)-1,7-naphthyridine?
The IUPAC name of 8-(3-nitrophenyl)-1,7-naphthyridine (CID 10682163) is 8-(3-nitrophenyl)-1,7-naphthyridine.
What is the SMILES notation for 8-(3-nitrophenyl)-1,7-naphthyridine?
The canonical SMILES for 8-(3-nitrophenyl)-1,7-naphthyridine is O=[N+]([O-])c1cccc(-c2nccc3cccnc23)c1.
What is the InChIKey of 8-(3-nitrophenyl)-1,7-naphthyridine?
The InChIKey is OMRFTRYPQRVACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O2/c18-17(19)12-5-1-3-11(9-12)14-13-10(6-8-16-14)4-2-7-15-13/h1-9H.
What are the key properties of 8-(3-nitrophenyl)-1,7-naphthyridine?
8-(3-nitrophenyl)-1,7-naphthyridine has a molecular weight of 251.25 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-nitrophenyl)-1,7-naphthyridine is sourced from PubChem (CID 10682163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).