2-amino-6-fluorobenzohydrazide

C7H8FN3O — CID 55281055

IUPAC2-amino-6-fluorobenzohydrazide
SMILESNNC(=O)c1c(N)cccc1F
InChIInChI=1S/C7H8FN3O/c8-4-2-1-3-5(9)6(4)7(12)11-10/h1-3H,9-10H2,(H,11,12)
InChIKeyAUQBOWFLTPPCTE-UHFFFAOYSA-N
MW169.16 g/mol
LogP0.01
Rot. Bonds1

About 2-amino-6-fluorobenzohydrazide

2-amino-6-fluorobenzohydrazide (PubChem CID 55281055) has the molecular formula C7H8FN3O and a molecular weight of 169.16 g/mol. Its IUPAC name is 2-amino-6-fluorobenzohydrazide.

Molecular Properties

Compound Name2-amino-6-fluorobenzohydrazide
PubChem CID55281055
Molecular FormulaC7H8FN3O
Molecular Weight169.16 g/mol
Exact Mass169.07
IUPAC Name2-amino-6-fluorobenzohydrazide
SMILESNNC(=O)c1c(N)cccc1F
InChIInChI=1S/C7H8FN3O/c8-4-2-1-3-5(9)6(4)7(12)11-10/h1-3H,9-10H2,(H,11,12)
InChIKeyAUQBOWFLTPPCTE-UHFFFAOYSA-N
XLogP0.01
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.16
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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-amino-6-fluorobenzohydrazide?
The IUPAC name of 2-amino-6-fluorobenzohydrazide (CID 55281055) is 2-amino-6-fluorobenzohydrazide.
What is the SMILES notation for 2-amino-6-fluorobenzohydrazide?
The canonical SMILES for 2-amino-6-fluorobenzohydrazide is NNC(=O)c1c(N)cccc1F.
What is the InChIKey of 2-amino-6-fluorobenzohydrazide?
The InChIKey is AUQBOWFLTPPCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN3O/c8-4-2-1-3-5(9)6(4)7(12)11-10/h1-3H,9-10H2,(H,11,12).
What are the key properties of 2-amino-6-fluorobenzohydrazide?
2-amino-6-fluorobenzohydrazide has a molecular weight of 169.16 g/mol, XLogP of 0.01, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluorobenzohydrazide is sourced from PubChem (CID 55281055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).