6-[(5-nitro-2-pyridinyl)oxy]quinoline

C14H9N3O3 — CID 47082227

IUPAC6-[(5-nitro-2-pyridinyl)oxy]quinoline
SMILESO=[N+]([O-])c1ccc(Oc2ccc3ncccc3c2)nc1
InChIInChI=1S/C14H9N3O3/c18-17(19)11-3-6-14(16-9-11)20-12-4-5-13-10(8-12)2-1-7-15-13/h1-9H
InChIKeyVNCACLUQLXXORD-UHFFFAOYSA-N
MW267.24 g/mol
LogP3.33
Rot. Bonds3

About 6-[(5-nitro-2-pyridinyl)oxy]quinoline

6-[(5-nitro-2-pyridinyl)oxy]quinoline (PubChem CID 47082227) has the molecular formula C14H9N3O3 and a molecular weight of 267.24 g/mol. Its IUPAC name is 6-[(5-nitro-2-pyridinyl)oxy]quinoline.

Molecular Properties

Compound Name6-[(5-nitro-2-pyridinyl)oxy]quinoline
PubChem CID47082227
Molecular FormulaC14H9N3O3
Molecular Weight267.24 g/mol
Exact Mass267.06
IUPAC Name6-[(5-nitro-2-pyridinyl)oxy]quinoline
SMILESO=[N+]([O-])c1ccc(Oc2ccc3ncccc3c2)nc1
InChIInChI=1S/C14H9N3O3/c18-17(19)11-3-6-14(16-9-11)20-12-4-5-13-10(8-12)2-1-7-15-13/h1-9H
InChIKeyVNCACLUQLXXORD-UHFFFAOYSA-N
XLogP3.33
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 53.33
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 6-[(5-nitro-2-pyridinyl)oxy]quinoline?
The IUPAC name of 6-[(5-nitro-2-pyridinyl)oxy]quinoline (CID 47082227) is 6-[(5-nitro-2-pyridinyl)oxy]quinoline.
What is the SMILES notation for 6-[(5-nitro-2-pyridinyl)oxy]quinoline?
The canonical SMILES for 6-[(5-nitro-2-pyridinyl)oxy]quinoline is O=[N+]([O-])c1ccc(Oc2ccc3ncccc3c2)nc1.
What is the InChIKey of 6-[(5-nitro-2-pyridinyl)oxy]quinoline?
The InChIKey is VNCACLUQLXXORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O3/c18-17(19)11-3-6-14(16-9-11)20-12-4-5-13-10(8-12)2-1-7-15-13/h1-9H.
What are the key properties of 6-[(5-nitro-2-pyridinyl)oxy]quinoline?
6-[(5-nitro-2-pyridinyl)oxy]quinoline has a molecular weight of 267.24 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-nitro-2-pyridinyl)oxy]quinoline is sourced from PubChem (CID 47082227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).