8-(3-nitrophenyl)-6-pyridin-3-yl-1,7-naphthyridine

C19H12N4O2 — CID 10664015

IUPAC8-(3-nitrophenyl)-6-pyridin-3-yl-1,7-naphthyridine
SMILESO=[N+]([O-])c1cccc(-c2nc(-c3cccnc3)cc3cccnc23)c1
InChIInChI=1S/C19H12N4O2/c24-23(25)16-7-1-4-13(10-16)19-18-14(5-3-9-21-18)11-17(22-19)15-6-2-8-20-12-15/h1-12H
InChIKeyFSRCBTSVLQDXOV-UHFFFAOYSA-N
MW328.33 g/mol
LogP4.27
Rot. Bonds3

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

8-(3-nitrophenyl)-6-pyridin-3-yl-1,7-naphthyridine (PubChem CID 10664015) has the molecular formula C19H12N4O2 and a molecular weight of 328.33 g/mol. Its IUPAC name is 8-(3-nitrophenyl)-6-pyridin-3-yl-1,7-naphthyridine.

Molecular Properties

Compound Name8-(3-nitrophenyl)-6-pyridin-3-yl-1,7-naphthyridine
PubChem CID10664015
Molecular FormulaC19H12N4O2
Molecular Weight328.33 g/mol
Exact Mass328.10
IUPAC Name8-(3-nitrophenyl)-6-pyridin-3-yl-1,7-naphthyridine
SMILESO=[N+]([O-])c1cccc(-c2nc(-c3cccnc3)cc3cccnc23)c1
InChIInChI=1S/C19H12N4O2/c24-23(25)16-7-1-4-13(10-16)19-18-14(5-3-9-21-18)11-17(22-19)15-6-2-8-20-12-15/h1-12H
InChIKeyFSRCBTSVLQDXOV-UHFFFAOYSA-N
XLogP4.27
TPSA81.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-pyridin-3-yl-1,7-naphthyridine?
The IUPAC name of 8-(3-nitrophenyl)-6-pyridin-3-yl-1,7-naphthyridine (CID 10664015) is 8-(3-nitrophenyl)-6-pyridin-3-yl-1,7-naphthyridine.
What is the SMILES notation for 8-(3-nitrophenyl)-6-pyridin-3-yl-1,7-naphthyridine?
The canonical SMILES for 8-(3-nitrophenyl)-6-pyridin-3-yl-1,7-naphthyridine is O=[N+]([O-])c1cccc(-c2nc(-c3cccnc3)cc3cccnc23)c1.
What is the InChIKey of 8-(3-nitrophenyl)-6-pyridin-3-yl-1,7-naphthyridine?
The InChIKey is FSRCBTSVLQDXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4O2/c24-23(25)16-7-1-4-13(10-16)19-18-14(5-3-9-21-18)11-17(22-19)15-6-2-8-20-12-15/h1-12H.
What are the key properties of 8-(3-nitrophenyl)-6-pyridin-3-yl-1,7-naphthyridine?
8-(3-nitrophenyl)-6-pyridin-3-yl-1,7-naphthyridine has a molecular weight of 328.33 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-nitrophenyl)-6-pyridin-3-yl-1,7-naphthyridine is sourced from PubChem (CID 10664015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).