4-hydroperoxy-3-nitro-1,8-naphthyridine

C8H5N3O4 — CID 22948805

IUPAC4-hydroperoxy-3-nitro-1,8-naphthyridine
SMILESO=[N+]([O-])c1cnc2ncccc2c1OO
InChIInChI=1S/C8H5N3O4/c12-11(13)6-4-10-8-5(7(6)15-14)2-1-3-9-8/h1-4,14H
InChIKeyIIPGDEWPFMPIFE-UHFFFAOYSA-N
MW207.15 g/mol
LogP1.39
Rot. Bonds2

About 4-hydroperoxy-3-nitro-1,8-naphthyridine

4-hydroperoxy-3-nitro-1,8-naphthyridine (PubChem CID 22948805) has the molecular formula C8H5N3O4 and a molecular weight of 207.15 g/mol. Its IUPAC name is 4-hydroperoxy-3-nitro-1,8-naphthyridine.

Molecular Properties

Compound Name4-hydroperoxy-3-nitro-1,8-naphthyridine
PubChem CID22948805
Molecular FormulaC8H5N3O4
Molecular Weight207.15 g/mol
Exact Mass207.03
IUPAC Name4-hydroperoxy-3-nitro-1,8-naphthyridine
SMILESO=[N+]([O-])c1cnc2ncccc2c1OO
InChIInChI=1S/C8H5N3O4/c12-11(13)6-4-10-8-5(7(6)15-14)2-1-3-9-8/h1-4,14H
InChIKeyIIPGDEWPFMPIFE-UHFFFAOYSA-N
XLogP1.39
TPSA98.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

10-nitrobenzo[c][1,8]naphthyridine
CID 141035280
3-nitroquinoline-4-carboxamide
CID 19034747
CID 88627944
CID 88627944
5,6-dinitroquinoline
CID 119087514
8-methoxy-5-nitroquinoline;nitric acid
CID 17380294
4-(3-nitroquinolin-4-yl)oxyaniline
CID 103964824
5-nitroquinoline-8-carboxylic acid
CID 15405331
3-nitro-4-(trifluoromethoxy)quinoline
CID 19034873
6-nitrobenzo[b][1,8]naphthyridine-9-carboxylic acid
CID 10355710
(5-nitroquinolin-8-yl) 2-methylprop-2-enoate
CID 19748562
(8-nitroquinolin-5-yl) carbonochloridate
CID 116525781
7-bromo-5-nitroquinolin-8-ol
CID 14125599

Frequently Asked Questions

What is the IUPAC name of 4-hydroperoxy-3-nitro-1,8-naphthyridine?
The IUPAC name of 4-hydroperoxy-3-nitro-1,8-naphthyridine (CID 22948805) is 4-hydroperoxy-3-nitro-1,8-naphthyridine.
What is the SMILES notation for 4-hydroperoxy-3-nitro-1,8-naphthyridine?
The canonical SMILES for 4-hydroperoxy-3-nitro-1,8-naphthyridine is O=[N+]([O-])c1cnc2ncccc2c1OO.
What is the InChIKey of 4-hydroperoxy-3-nitro-1,8-naphthyridine?
The InChIKey is IIPGDEWPFMPIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O4/c12-11(13)6-4-10-8-5(7(6)15-14)2-1-3-9-8/h1-4,14H.
What are the key properties of 4-hydroperoxy-3-nitro-1,8-naphthyridine?
4-hydroperoxy-3-nitro-1,8-naphthyridine has a molecular weight of 207.15 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroperoxy-3-nitro-1,8-naphthyridine is sourced from PubChem (CID 22948805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).