7-fluoro-5-nitro-8-(1,2,4-triazol-1-yl)quinoline

C11H6FN5O2 — CID 83163580

IUPAC7-fluoro-5-nitro-8-(1,2,4-triazol-1-yl)quinoline
SMILESO=[N+]([O-])c1cc(F)c(-n2cncn2)c2ncccc12
InChIInChI=1S/C11H6FN5O2/c12-8-4-9(17(18)19)7-2-1-3-14-10(7)11(8)16-6-13-5-15-16/h1-6H
InChIKeyZBNSHECDVJIMSH-UHFFFAOYSA-N
MW259.20 g/mol
LogP1.86
Rot. Bonds2

About 7-fluoro-5-nitro-8-(1,2,4-triazol-1-yl)quinoline

7-fluoro-5-nitro-8-(1,2,4-triazol-1-yl)quinoline (PubChem CID 83163580) has the molecular formula C11H6FN5O2 and a molecular weight of 259.20 g/mol. Its IUPAC name is 7-fluoro-5-nitro-8-(1,2,4-triazol-1-yl)quinoline.

Molecular Properties

Compound Name7-fluoro-5-nitro-8-(1,2,4-triazol-1-yl)quinoline
PubChem CID83163580
Molecular FormulaC11H6FN5O2
Molecular Weight259.20 g/mol
Exact Mass259.05
IUPAC Name7-fluoro-5-nitro-8-(1,2,4-triazol-1-yl)quinoline
SMILESO=[N+]([O-])c1cc(F)c(-n2cncn2)c2ncccc12
InChIInChI=1S/C11H6FN5O2/c12-8-4-9(17(18)19)7-2-1-3-14-10(7)11(8)16-6-13-5-15-16/h1-6H
InChIKeyZBNSHECDVJIMSH-UHFFFAOYSA-N
XLogP1.86
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.20
LogP ≤ 51.86
H-Bond Donors ≤ 50
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'}

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-nitro-8-(1,2,4-triazol-1-yl)quinoline?
The IUPAC name of 7-fluoro-5-nitro-8-(1,2,4-triazol-1-yl)quinoline (CID 83163580) is 7-fluoro-5-nitro-8-(1,2,4-triazol-1-yl)quinoline.
What is the SMILES notation for 7-fluoro-5-nitro-8-(1,2,4-triazol-1-yl)quinoline?
The canonical SMILES for 7-fluoro-5-nitro-8-(1,2,4-triazol-1-yl)quinoline is O=[N+]([O-])c1cc(F)c(-n2cncn2)c2ncccc12.
What is the InChIKey of 7-fluoro-5-nitro-8-(1,2,4-triazol-1-yl)quinoline?
The InChIKey is ZBNSHECDVJIMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6FN5O2/c12-8-4-9(17(18)19)7-2-1-3-14-10(7)11(8)16-6-13-5-15-16/h1-6H.
What are the key properties of 7-fluoro-5-nitro-8-(1,2,4-triazol-1-yl)quinoline?
7-fluoro-5-nitro-8-(1,2,4-triazol-1-yl)quinoline has a molecular weight of 259.20 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-nitro-8-(1,2,4-triazol-1-yl)quinoline is sourced from PubChem (CID 83163580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).