2,3-dinitroquinoline

C9H5N3O4 — CID 87276214

IUPAC2,3-dinitroquinoline
SMILESO=[N+]([O-])c1cc2ccccc2nc1[N+](=O)[O-]
InChIInChI=1S/C9H5N3O4/c13-11(14)8-5-6-3-1-2-4-7(6)10-9(8)12(15)16/h1-5H
InChIKeyRRBUKOWICXHUHD-UHFFFAOYSA-N
MW219.16 g/mol
LogP2.05
Rot. Bonds2

About 2,3-dinitroquinoline

2,3-dinitroquinoline (PubChem CID 87276214) has the molecular formula C9H5N3O4 and a molecular weight of 219.16 g/mol. Its IUPAC name is 2,3-dinitroquinoline.

Molecular Properties

Compound Name2,3-dinitroquinoline
PubChem CID87276214
Molecular FormulaC9H5N3O4
Molecular Weight219.16 g/mol
Exact Mass219.03
IUPAC Name2,3-dinitroquinoline
SMILESO=[N+]([O-])c1cc2ccccc2nc1[N+](=O)[O-]
InChIInChI=1S/C9H5N3O4/c13-11(14)8-5-6-3-1-2-4-7(6)10-9(8)12(15)16/h1-5H
InChIKeyRRBUKOWICXHUHD-UHFFFAOYSA-N
XLogP2.05
TPSA99.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.16
LogP ≤ 52.05
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 2,3-dinitroquinoline?
The IUPAC name of 2,3-dinitroquinoline (CID 87276214) is 2,3-dinitroquinoline.
What is the SMILES notation for 2,3-dinitroquinoline?
The canonical SMILES for 2,3-dinitroquinoline is O=[N+]([O-])c1cc2ccccc2nc1[N+](=O)[O-].
What is the InChIKey of 2,3-dinitroquinoline?
The InChIKey is RRBUKOWICXHUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N3O4/c13-11(14)8-5-6-3-1-2-4-7(6)10-9(8)12(15)16/h1-5H.
What are the key properties of 2,3-dinitroquinoline?
2,3-dinitroquinoline has a molecular weight of 219.16 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dinitroquinoline is sourced from PubChem (CID 87276214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).