10-nitrobenzo[c][1,8]naphthyridine

C12H7N3O2 — CID 141035280

IUPAC10-nitrobenzo[c][1,8]naphthyridine
SMILESO=[N+]([O-])c1cccc2cnc3ncccc3c12
InChIInChI=1S/C12H7N3O2/c16-15(17)10-5-1-3-8-7-14-12-9(11(8)10)4-2-6-13-12/h1-7H
InChIKeyKDKLTUYRSFJJSV-UHFFFAOYSA-N
MW225.21 g/mol
LogP2.69
Rot. Bonds1

About 10-nitrobenzo[c][1,8]naphthyridine

10-nitrobenzo[c][1,8]naphthyridine (PubChem CID 141035280) has the molecular formula C12H7N3O2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 10-nitrobenzo[c][1,8]naphthyridine.

Molecular Properties

Compound Name10-nitrobenzo[c][1,8]naphthyridine
PubChem CID141035280
Molecular FormulaC12H7N3O2
Molecular Weight225.21 g/mol
Exact Mass225.05
IUPAC Name10-nitrobenzo[c][1,8]naphthyridine
SMILESO=[N+]([O-])c1cccc2cnc3ncccc3c12
InChIInChI=1S/C12H7N3O2/c16-15(17)10-5-1-3-8-7-14-12-9(11(8)10)4-2-6-13-12/h1-7H
InChIKeyKDKLTUYRSFJJSV-UHFFFAOYSA-N
XLogP2.69
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 52.69
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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4-nitrophenanthrene
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1-nitronaphthalene;hydrate
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azanylidyneazanium;1-nitronaphthalene;chloride
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10-nitropyrazino[2,3-c]isoquinoline-6-carboxylic acid
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N-naphthalen-1-yl-3-nitropyridin-2-amine
CID 3725963
formonitrile;1-nitronaphthalene
CID 174387830
5-nitroisoquinolin-3-amine
CID 174817453
1,1'-biphenyl;1-nitronaphthalene
CID 174805071
CID 88627944
CID 88627944
15-nitro-2-pyridin-2-yl-2-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene
CID 142726084

Frequently Asked Questions

What is the IUPAC name of 10-nitrobenzo[c][1,8]naphthyridine?
The IUPAC name of 10-nitrobenzo[c][1,8]naphthyridine (CID 141035280) is 10-nitrobenzo[c][1,8]naphthyridine.
What is the SMILES notation for 10-nitrobenzo[c][1,8]naphthyridine?
The canonical SMILES for 10-nitrobenzo[c][1,8]naphthyridine is O=[N+]([O-])c1cccc2cnc3ncccc3c12.
What is the InChIKey of 10-nitrobenzo[c][1,8]naphthyridine?
The InChIKey is KDKLTUYRSFJJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N3O2/c16-15(17)10-5-1-3-8-7-14-12-9(11(8)10)4-2-6-13-12/h1-7H.
What are the key properties of 10-nitrobenzo[c][1,8]naphthyridine?
10-nitrobenzo[c][1,8]naphthyridine has a molecular weight of 225.21 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-nitrobenzo[c][1,8]naphthyridine is sourced from PubChem (CID 141035280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).