6-fluoroquinoline-3-carbohydrazide

C10H8FN3O — CID 119026646

IUPAC6-fluoroquinoline-3-carbohydrazide
SMILESNNC(=O)c1cnc2ccc(F)cc2c1
InChIInChI=1S/C10H8FN3O/c11-8-1-2-9-6(4-8)3-7(5-13-9)10(15)14-12/h1-5H,12H2,(H,14,15)
InChIKeyWTHLRYGAEHIOKO-UHFFFAOYSA-N
MW205.19 g/mol
LogP0.98
Rot. Bonds1

About 6-fluoroquinoline-3-carbohydrazide

6-fluoroquinoline-3-carbohydrazide (PubChem CID 119026646) has the molecular formula C10H8FN3O and a molecular weight of 205.19 g/mol. Its IUPAC name is 6-fluoroquinoline-3-carbohydrazide.

Molecular Properties

Compound Name6-fluoroquinoline-3-carbohydrazide
PubChem CID119026646
Molecular FormulaC10H8FN3O
Molecular Weight205.19 g/mol
Exact Mass205.07
IUPAC Name6-fluoroquinoline-3-carbohydrazide
SMILESNNC(=O)c1cnc2ccc(F)cc2c1
InChIInChI=1S/C10H8FN3O/c11-8-1-2-9-6(4-8)3-7(5-13-9)10(15)14-12/h1-5H,12H2,(H,14,15)
InChIKeyWTHLRYGAEHIOKO-UHFFFAOYSA-N
XLogP0.98
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 50.98
H-Bond Donors ≤ 52
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-fluoroquinoline-3-carbohydrazide?
The IUPAC name of 6-fluoroquinoline-3-carbohydrazide (CID 119026646) is 6-fluoroquinoline-3-carbohydrazide.
What is the SMILES notation for 6-fluoroquinoline-3-carbohydrazide?
The canonical SMILES for 6-fluoroquinoline-3-carbohydrazide is NNC(=O)c1cnc2ccc(F)cc2c1.
What is the InChIKey of 6-fluoroquinoline-3-carbohydrazide?
The InChIKey is WTHLRYGAEHIOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O/c11-8-1-2-9-6(4-8)3-7(5-13-9)10(15)14-12/h1-5H,12H2,(H,14,15).
What are the key properties of 6-fluoroquinoline-3-carbohydrazide?
6-fluoroquinoline-3-carbohydrazide has a molecular weight of 205.19 g/mol, XLogP of 0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoroquinoline-3-carbohydrazide is sourced from PubChem (CID 119026646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).