5-nitro-4-pyridin-3-ylquinoline

C14H9N3O2 — CID 175692098

IUPAC5-nitro-4-pyridin-3-ylquinoline
SMILESO=[N+]([O-])c1cccc2nccc(-c3cccnc3)c12
InChIInChI=1S/C14H9N3O2/c18-17(19)13-5-1-4-12-14(13)11(6-8-16-12)10-3-2-7-15-9-10/h1-9H
InChIKeyBANQJYAAOSOTPH-UHFFFAOYSA-N
MW251.25 g/mol
LogP3.20
Rot. Bonds2

About 5-nitro-4-pyridin-3-ylquinoline

5-nitro-4-pyridin-3-ylquinoline (PubChem CID 175692098) has the molecular formula C14H9N3O2 and a molecular weight of 251.25 g/mol. Its IUPAC name is 5-nitro-4-pyridin-3-ylquinoline.

Molecular Properties

Compound Name5-nitro-4-pyridin-3-ylquinoline
PubChem CID175692098
Molecular FormulaC14H9N3O2
Molecular Weight251.25 g/mol
Exact Mass251.07
IUPAC Name5-nitro-4-pyridin-3-ylquinoline
SMILESO=[N+]([O-])c1cccc2nccc(-c3cccnc3)c12
InChIInChI=1S/C14H9N3O2/c18-17(19)13-5-1-4-12-14(13)11(6-8-16-12)10-3-2-7-15-9-10/h1-9H
InChIKeyBANQJYAAOSOTPH-UHFFFAOYSA-N
XLogP3.20
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 53.20
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-nitro-4-pyridin-3-ylquinoline?
The IUPAC name of 5-nitro-4-pyridin-3-ylquinoline (CID 175692098) is 5-nitro-4-pyridin-3-ylquinoline.
What is the SMILES notation for 5-nitro-4-pyridin-3-ylquinoline?
The canonical SMILES for 5-nitro-4-pyridin-3-ylquinoline is O=[N+]([O-])c1cccc2nccc(-c3cccnc3)c12.
What is the InChIKey of 5-nitro-4-pyridin-3-ylquinoline?
The InChIKey is BANQJYAAOSOTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O2/c18-17(19)13-5-1-4-12-14(13)11(6-8-16-12)10-3-2-7-15-9-10/h1-9H.
What are the key properties of 5-nitro-4-pyridin-3-ylquinoline?
5-nitro-4-pyridin-3-ylquinoline has a molecular weight of 251.25 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-4-pyridin-3-ylquinoline is sourced from PubChem (CID 175692098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).