3-cyano-4-fluorobenzohydrazide

C8H6FN3O — CID 59234832

IUPAC3-cyano-4-fluorobenzohydrazide
SMILESN#Cc1cc(C(=O)NN)ccc1F
InChIInChI=1S/C8H6FN3O/c9-7-2-1-5(8(13)12-11)3-6(7)4-10/h1-3H,11H2,(H,12,13)
InChIKeyFNTCEDWWRNGPND-UHFFFAOYSA-N
MW179.15 g/mol
LogP0.30
Rot. Bonds1

About 3-cyano-4-fluorobenzohydrazide

3-cyano-4-fluorobenzohydrazide (PubChem CID 59234832) has the molecular formula C8H6FN3O and a molecular weight of 179.15 g/mol. Its IUPAC name is 3-cyano-4-fluorobenzohydrazide.

Molecular Properties

Compound Name3-cyano-4-fluorobenzohydrazide
PubChem CID59234832
Molecular FormulaC8H6FN3O
Molecular Weight179.15 g/mol
Exact Mass179.05
IUPAC Name3-cyano-4-fluorobenzohydrazide
SMILESN#Cc1cc(C(=O)NN)ccc1F
InChIInChI=1S/C8H6FN3O/c9-7-2-1-5(8(13)12-11)3-6(7)4-10/h1-3H,11H2,(H,12,13)
InChIKeyFNTCEDWWRNGPND-UHFFFAOYSA-N
XLogP0.30
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 50.30
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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Related Compounds

3-cyano-4-fluorobenzamide
CID 68505906
3-cyano-4-hydroxybenzohydrazide;2,2,2-trifluoroacetic acid
CID 162327714
bis(chromium(3+));bis(3-cyano-4-fluorobenzoic acid);tris(oxygen(2-))
CID 173117282
3-amino-4-fluorobenzohydrazide;hydrochloride
CID 131133629
propyl 4-(3-cyano-4-fluorophenyl)-4-oxobutanoate
CID 107936549
3-bromo-N-(3-cyano-4-fluorophenyl)-4-fluorobenzamide
CID 103707295
5-(3-cyanobutanoyl)-2-fluorobenzonitrile
CID 107936487
5-(3-chloro-2,2-dimethylpropanoyl)-2-fluorobenzonitrile
CID 130136908
3-[[bis(prop-2-enyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458423
4-(3-cyano-4-fluorophenyl)-3-methyl-4-oxobutanoic acid
CID 107936552
4-(difluoromethyl)-3-fluorobenzohydrazide
CID 178127669
4-fluorobenzohydrazide
CID 9972

Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-fluorobenzohydrazide?
The IUPAC name of 3-cyano-4-fluorobenzohydrazide (CID 59234832) is 3-cyano-4-fluorobenzohydrazide.
What is the SMILES notation for 3-cyano-4-fluorobenzohydrazide?
The canonical SMILES for 3-cyano-4-fluorobenzohydrazide is N#Cc1cc(C(=O)NN)ccc1F.
What is the InChIKey of 3-cyano-4-fluorobenzohydrazide?
The InChIKey is FNTCEDWWRNGPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3O/c9-7-2-1-5(8(13)12-11)3-6(7)4-10/h1-3H,11H2,(H,12,13).
What are the key properties of 3-cyano-4-fluorobenzohydrazide?
3-cyano-4-fluorobenzohydrazide has a molecular weight of 179.15 g/mol, XLogP of 0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-fluorobenzohydrazide is sourced from PubChem (CID 59234832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).