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

C17H13N3O2 — CID 10661230

IUPAC8-(3-nitrophenyl)-6-prop-2-enyl-1,7-naphthyridine
SMILESC=CCc1cc2cccnc2c(-c2cccc([N+](=O)[O-])c2)n1
InChIInChI=1S/C17H13N3O2/c1-2-5-14-10-12-7-4-9-18-16(12)17(19-14)13-6-3-8-15(11-13)20(21)22/h2-4,6-11H,1,5H2
InChIKeyKJLVJCFCBOJYEX-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.93
Rot. Bonds4

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

8-(3-nitrophenyl)-6-prop-2-enyl-1,7-naphthyridine (PubChem CID 10661230) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 8-(3-nitrophenyl)-6-prop-2-enyl-1,7-naphthyridine.

Molecular Properties

Compound Name8-(3-nitrophenyl)-6-prop-2-enyl-1,7-naphthyridine
PubChem CID10661230
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name8-(3-nitrophenyl)-6-prop-2-enyl-1,7-naphthyridine
SMILESC=CCc1cc2cccnc2c(-c2cccc([N+](=O)[O-])c2)n1
InChIInChI=1S/C17H13N3O2/c1-2-5-14-10-12-7-4-9-18-16(12)17(19-14)13-6-3-8-15(11-13)20(21)22/h2-4,6-11H,1,5H2
InChIKeyKJLVJCFCBOJYEX-UHFFFAOYSA-N
XLogP3.93
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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-prop-2-enyl-1,7-naphthyridine?
The IUPAC name of 8-(3-nitrophenyl)-6-prop-2-enyl-1,7-naphthyridine (CID 10661230) is 8-(3-nitrophenyl)-6-prop-2-enyl-1,7-naphthyridine.
What is the SMILES notation for 8-(3-nitrophenyl)-6-prop-2-enyl-1,7-naphthyridine?
The canonical SMILES for 8-(3-nitrophenyl)-6-prop-2-enyl-1,7-naphthyridine is C=CCc1cc2cccnc2c(-c2cccc([N+](=O)[O-])c2)n1.
What is the InChIKey of 8-(3-nitrophenyl)-6-prop-2-enyl-1,7-naphthyridine?
The InChIKey is KJLVJCFCBOJYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c1-2-5-14-10-12-7-4-9-18-16(12)17(19-14)13-6-3-8-15(11-13)20(21)22/h2-4,6-11H,1,5H2.
What are the key properties of 8-(3-nitrophenyl)-6-prop-2-enyl-1,7-naphthyridine?
8-(3-nitrophenyl)-6-prop-2-enyl-1,7-naphthyridine has a molecular weight of 291.31 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-nitrophenyl)-6-prop-2-enyl-1,7-naphthyridine is sourced from PubChem (CID 10661230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).