2-fluoro-6-methanehydrazonoylbenzoic acid

C8H7FN2O2 — CID 168531555

IUPAC2-fluoro-6-methanehydrazonoylbenzoic acid
SMILESNN=Cc1cccc(F)c1C(=O)O
InChIInChI=1S/C8H7FN2O2/c9-6-3-1-2-5(4-11-10)7(6)8(12)13/h1-4H,10H2,(H,12,13)
InChIKeyIZDARWCLPYQXAZ-UHFFFAOYSA-N
MW182.15 g/mol
LogP0.82
Rot. Bonds2

About 2-fluoro-6-methanehydrazonoylbenzoic acid

2-fluoro-6-methanehydrazonoylbenzoic acid (PubChem CID 168531555) has the molecular formula C8H7FN2O2 and a molecular weight of 182.15 g/mol. Its IUPAC name is 2-fluoro-6-methanehydrazonoylbenzoic acid.

Molecular Properties

Compound Name2-fluoro-6-methanehydrazonoylbenzoic acid
PubChem CID168531555
Molecular FormulaC8H7FN2O2
Molecular Weight182.15 g/mol
Exact Mass182.05
IUPAC Name2-fluoro-6-methanehydrazonoylbenzoic acid
SMILESNN=Cc1cccc(F)c1C(=O)O
InChIInChI=1S/C8H7FN2O2/c9-6-3-1-2-5(4-11-10)7(6)8(12)13/h1-4H,10H2,(H,12,13)
InChIKeyIZDARWCLPYQXAZ-UHFFFAOYSA-N
XLogP0.82
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.15
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminobut-1-enyl)-6-fluorobenzoic acid
CID 170487172
2-(3-carboxyprop-1-enyl)-6-fluorobenzoic acid
CID 170483799
2-fluoro-6-(4-hydroxybut-1-enyl)benzoic acid
CID 170476801
2-fluoro-6-methylbenzoic acid
CID 13478132
2-[[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-6-fluorobenzoic acid
CID 168625408
2-fluoro-6-(sulfamoylamino)benzoic acid
CID 114958773
2-fluoro-6-[[(Z)-[(5E)-5-(2-methoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]benzoic acid
CID 172927218
acetic acid;2-[(2,3-difluorophenyl)methylideneamino]guanidine
CID 66841721
2-fluoro-6-(hydroxymethyl)benzoic acid
CID 46831349
(2,6-difluorophenyl)methylideneurea
CID 152634177
CID 161042703
CID 161042703
2-benzamido-6-fluorobenzoic acid
CID 13389963

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methanehydrazonoylbenzoic acid?
The IUPAC name of 2-fluoro-6-methanehydrazonoylbenzoic acid (CID 168531555) is 2-fluoro-6-methanehydrazonoylbenzoic acid.
What is the SMILES notation for 2-fluoro-6-methanehydrazonoylbenzoic acid?
The canonical SMILES for 2-fluoro-6-methanehydrazonoylbenzoic acid is NN=Cc1cccc(F)c1C(=O)O.
What is the InChIKey of 2-fluoro-6-methanehydrazonoylbenzoic acid?
The InChIKey is IZDARWCLPYQXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O2/c9-6-3-1-2-5(4-11-10)7(6)8(12)13/h1-4H,10H2,(H,12,13).
What are the key properties of 2-fluoro-6-methanehydrazonoylbenzoic acid?
2-fluoro-6-methanehydrazonoylbenzoic acid has a molecular weight of 182.15 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methanehydrazonoylbenzoic acid is sourced from PubChem (CID 168531555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).