6-(2-methylphenyl)-8-(3-nitrophenyl)-1,7-naphthyridine

C21H15N3O2 — CID 10545177

IUPAC6-(2-methylphenyl)-8-(3-nitrophenyl)-1,7-naphthyridine
SMILESCc1ccccc1-c1cc2cccnc2c(-c2cccc([N+](=O)[O-])c2)n1
InChIInChI=1S/C21H15N3O2/c1-14-6-2-3-10-18(14)19-13-16-8-5-11-22-20(16)21(23-19)15-7-4-9-17(12-15)24(25)26/h2-13H,1H3
InChIKeyBMEOUAVDMLIXQF-UHFFFAOYSA-N
MW341.37 g/mol
LogP5.18
Rot. Bonds3

About 6-(2-methylphenyl)-8-(3-nitrophenyl)-1,7-naphthyridine

6-(2-methylphenyl)-8-(3-nitrophenyl)-1,7-naphthyridine (PubChem CID 10545177) has the molecular formula C21H15N3O2 and a molecular weight of 341.37 g/mol. Its IUPAC name is 6-(2-methylphenyl)-8-(3-nitrophenyl)-1,7-naphthyridine.

Molecular Properties

Compound Name6-(2-methylphenyl)-8-(3-nitrophenyl)-1,7-naphthyridine
PubChem CID10545177
Molecular FormulaC21H15N3O2
Molecular Weight341.37 g/mol
Exact Mass341.12
IUPAC Name6-(2-methylphenyl)-8-(3-nitrophenyl)-1,7-naphthyridine
SMILESCc1ccccc1-c1cc2cccnc2c(-c2cccc([N+](=O)[O-])c2)n1
InChIInChI=1S/C21H15N3O2/c1-14-6-2-3-10-18(14)19-13-16-8-5-11-22-20(16)21(23-19)15-7-4-9-17(12-15)24(25)26/h2-13H,1H3
InChIKeyBMEOUAVDMLIXQF-UHFFFAOYSA-N
XLogP5.18
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.37
LogP ≤ 55.18
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 6-(2-methylphenyl)-8-(3-nitrophenyl)-1,7-naphthyridine?
The IUPAC name of 6-(2-methylphenyl)-8-(3-nitrophenyl)-1,7-naphthyridine (CID 10545177) is 6-(2-methylphenyl)-8-(3-nitrophenyl)-1,7-naphthyridine.
What is the SMILES notation for 6-(2-methylphenyl)-8-(3-nitrophenyl)-1,7-naphthyridine?
The canonical SMILES for 6-(2-methylphenyl)-8-(3-nitrophenyl)-1,7-naphthyridine is Cc1ccccc1-c1cc2cccnc2c(-c2cccc([N+](=O)[O-])c2)n1.
What is the InChIKey of 6-(2-methylphenyl)-8-(3-nitrophenyl)-1,7-naphthyridine?
The InChIKey is BMEOUAVDMLIXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O2/c1-14-6-2-3-10-18(14)19-13-16-8-5-11-22-20(16)21(23-19)15-7-4-9-17(12-15)24(25)26/h2-13H,1H3.
What are the key properties of 6-(2-methylphenyl)-8-(3-nitrophenyl)-1,7-naphthyridine?
6-(2-methylphenyl)-8-(3-nitrophenyl)-1,7-naphthyridine has a molecular weight of 341.37 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylphenyl)-8-(3-nitrophenyl)-1,7-naphthyridine is sourced from PubChem (CID 10545177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).