8-(3-nitrophenyl)-6-phenyl-1,7-naphthyridine

C20H13N3O2 — CID 10711281

IUPAC8-(3-nitrophenyl)-6-phenyl-1,7-naphthyridine
SMILESO=[N+]([O-])c1cccc(-c2nc(-c3ccccc3)cc3cccnc23)c1
InChIInChI=1S/C20H13N3O2/c24-23(25)17-10-4-8-15(12-17)20-19-16(9-5-11-21-19)13-18(22-20)14-6-2-1-3-7-14/h1-13H
InChIKeySRVUGPYWYLBZNI-UHFFFAOYSA-N
MW327.34 g/mol
LogP4.87
Rot. Bonds3

About 8-(3-nitrophenyl)-6-phenyl-1,7-naphthyridine

8-(3-nitrophenyl)-6-phenyl-1,7-naphthyridine (PubChem CID 10711281) has the molecular formula C20H13N3O2 and a molecular weight of 327.34 g/mol. Its IUPAC name is 8-(3-nitrophenyl)-6-phenyl-1,7-naphthyridine.

Molecular Properties

Compound Name8-(3-nitrophenyl)-6-phenyl-1,7-naphthyridine
PubChem CID10711281
Molecular FormulaC20H13N3O2
Molecular Weight327.34 g/mol
Exact Mass327.10
IUPAC Name8-(3-nitrophenyl)-6-phenyl-1,7-naphthyridine
SMILESO=[N+]([O-])c1cccc(-c2nc(-c3ccccc3)cc3cccnc23)c1
InChIInChI=1S/C20H13N3O2/c24-23(25)17-10-4-8-15(12-17)20-19-16(9-5-11-21-19)13-18(22-20)14-6-2-1-3-7-14/h1-13H
InChIKeySRVUGPYWYLBZNI-UHFFFAOYSA-N
XLogP4.87
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 54.87
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'}

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Frequently Asked Questions

What is the IUPAC name of 8-(3-nitrophenyl)-6-phenyl-1,7-naphthyridine?
The IUPAC name of 8-(3-nitrophenyl)-6-phenyl-1,7-naphthyridine (CID 10711281) is 8-(3-nitrophenyl)-6-phenyl-1,7-naphthyridine.
What is the SMILES notation for 8-(3-nitrophenyl)-6-phenyl-1,7-naphthyridine?
The canonical SMILES for 8-(3-nitrophenyl)-6-phenyl-1,7-naphthyridine is O=[N+]([O-])c1cccc(-c2nc(-c3ccccc3)cc3cccnc23)c1.
What is the InChIKey of 8-(3-nitrophenyl)-6-phenyl-1,7-naphthyridine?
The InChIKey is SRVUGPYWYLBZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3O2/c24-23(25)17-10-4-8-15(12-17)20-19-16(9-5-11-21-19)13-18(22-20)14-6-2-1-3-7-14/h1-13H.
What are the key properties of 8-(3-nitrophenyl)-6-phenyl-1,7-naphthyridine?
8-(3-nitrophenyl)-6-phenyl-1,7-naphthyridine has a molecular weight of 327.34 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-nitrophenyl)-6-phenyl-1,7-naphthyridine is sourced from PubChem (CID 10711281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).