6-fluoro-2-oxo-1H-quinoline-4-carbohydrazide

C10H8FN3O2 — CID 70692587

IUPAC6-fluoro-2-oxo-1H-quinoline-4-carbohydrazide
SMILESNNC(=O)c1cc(=O)[nH]c2ccc(F)cc12
InChIInChI=1S/C10H8FN3O2/c11-5-1-2-8-6(3-5)7(10(16)14-12)4-9(15)13-8/h1-4H,12H2,(H,13,15)(H,14,16)
InChIKeyMSVJRDLQRHACNJ-UHFFFAOYSA-N
MW221.19 g/mol
LogP0.27
Rot. Bonds1

About 6-fluoro-2-oxo-1H-quinoline-4-carbohydrazide

6-fluoro-2-oxo-1H-quinoline-4-carbohydrazide (PubChem CID 70692587) has the molecular formula C10H8FN3O2 and a molecular weight of 221.19 g/mol. Its IUPAC name is 6-fluoro-2-oxo-1H-quinoline-4-carbohydrazide.

Molecular Properties

Compound Name6-fluoro-2-oxo-1H-quinoline-4-carbohydrazide
PubChem CID70692587
Molecular FormulaC10H8FN3O2
Molecular Weight221.19 g/mol
Exact Mass221.06
IUPAC Name6-fluoro-2-oxo-1H-quinoline-4-carbohydrazide
SMILESNNC(=O)c1cc(=O)[nH]c2ccc(F)cc12
InChIInChI=1S/C10H8FN3O2/c11-5-1-2-8-6(3-5)7(10(16)14-12)4-9(15)13-8/h1-4H,12H2,(H,13,15)(H,14,16)
InChIKeyMSVJRDLQRHACNJ-UHFFFAOYSA-N
XLogP0.27
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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-fluoro-2-oxo-1H-quinoline-4-carbohydrazide?
The IUPAC name of 6-fluoro-2-oxo-1H-quinoline-4-carbohydrazide (CID 70692587) is 6-fluoro-2-oxo-1H-quinoline-4-carbohydrazide.
What is the SMILES notation for 6-fluoro-2-oxo-1H-quinoline-4-carbohydrazide?
The canonical SMILES for 6-fluoro-2-oxo-1H-quinoline-4-carbohydrazide is NNC(=O)c1cc(=O)[nH]c2ccc(F)cc12.
What is the InChIKey of 6-fluoro-2-oxo-1H-quinoline-4-carbohydrazide?
The InChIKey is MSVJRDLQRHACNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O2/c11-5-1-2-8-6(3-5)7(10(16)14-12)4-9(15)13-8/h1-4H,12H2,(H,13,15)(H,14,16).
What are the key properties of 6-fluoro-2-oxo-1H-quinoline-4-carbohydrazide?
6-fluoro-2-oxo-1H-quinoline-4-carbohydrazide has a molecular weight of 221.19 g/mol, XLogP of 0.27, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-oxo-1H-quinoline-4-carbohydrazide is sourced from PubChem (CID 70692587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).