2-(3-chloro-8-fluoroquinolin-6-yl)acetohydrazide

C11H9ClFN3O — CID 134178070

IUPAC2-(3-chloro-8-fluoroquinolin-6-yl)acetohydrazide
SMILESNNC(=O)Cc1cc(F)c2ncc(Cl)cc2c1
InChIInChI=1S/C11H9ClFN3O/c12-8-4-7-1-6(3-10(17)16-14)2-9(13)11(7)15-5-8/h1-2,4-5H,3,14H2,(H,16,17)
InChIKeyAFUFMQOHMMMMTG-UHFFFAOYSA-N
MW253.66 g/mol
LogP1.56
Rot. Bonds2

About 2-(3-chloro-8-fluoroquinolin-6-yl)acetohydrazide

2-(3-chloro-8-fluoroquinolin-6-yl)acetohydrazide (PubChem CID 134178070) has the molecular formula C11H9ClFN3O and a molecular weight of 253.66 g/mol. Its IUPAC name is 2-(3-chloro-8-fluoroquinolin-6-yl)acetohydrazide.

Molecular Properties

Compound Name2-(3-chloro-8-fluoroquinolin-6-yl)acetohydrazide
PubChem CID134178070
Molecular FormulaC11H9ClFN3O
Molecular Weight253.66 g/mol
Exact Mass253.04
IUPAC Name2-(3-chloro-8-fluoroquinolin-6-yl)acetohydrazide
SMILESNNC(=O)Cc1cc(F)c2ncc(Cl)cc2c1
InChIInChI=1S/C11H9ClFN3O/c12-8-4-7-1-6(3-10(17)16-14)2-9(13)11(7)15-5-8/h1-2,4-5H,3,14H2,(H,16,17)
InChIKeyAFUFMQOHMMMMTG-UHFFFAOYSA-N
XLogP1.56
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.66
LogP ≤ 51.56
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 2-(3-chloro-8-fluoroquinolin-6-yl)acetohydrazide?
The IUPAC name of 2-(3-chloro-8-fluoroquinolin-6-yl)acetohydrazide (CID 134178070) is 2-(3-chloro-8-fluoroquinolin-6-yl)acetohydrazide.
What is the SMILES notation for 2-(3-chloro-8-fluoroquinolin-6-yl)acetohydrazide?
The canonical SMILES for 2-(3-chloro-8-fluoroquinolin-6-yl)acetohydrazide is NNC(=O)Cc1cc(F)c2ncc(Cl)cc2c1.
What is the InChIKey of 2-(3-chloro-8-fluoroquinolin-6-yl)acetohydrazide?
The InChIKey is AFUFMQOHMMMMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O/c12-8-4-7-1-6(3-10(17)16-14)2-9(13)11(7)15-5-8/h1-2,4-5H,3,14H2,(H,16,17).
What are the key properties of 2-(3-chloro-8-fluoroquinolin-6-yl)acetohydrazide?
2-(3-chloro-8-fluoroquinolin-6-yl)acetohydrazide has a molecular weight of 253.66 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-8-fluoroquinolin-6-yl)acetohydrazide is sourced from PubChem (CID 134178070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).