3-fluoro-2-hydrazinylbenzoic acid

C7H7FN2O2 — CID 82007573

IUPAC3-fluoro-2-hydrazinylbenzoic acid
SMILESNNc1c(F)cccc1C(=O)O
InChIInChI=1S/C7H7FN2O2/c8-5-3-1-2-4(7(11)12)6(5)10-9/h1-3,10H,9H2,(H,11,12)
InChIKeySCAHQZJCMQKAMD-UHFFFAOYSA-N
MW170.14 g/mol
LogP0.81
Rot. Bonds2

About 3-fluoro-2-hydrazinylbenzoic acid

3-fluoro-2-hydrazinylbenzoic acid (PubChem CID 82007573) has the molecular formula C7H7FN2O2 and a molecular weight of 170.14 g/mol. Its IUPAC name is 3-fluoro-2-hydrazinylbenzoic acid.

Molecular Properties

Compound Name3-fluoro-2-hydrazinylbenzoic acid
PubChem CID82007573
Molecular FormulaC7H7FN2O2
Molecular Weight170.14 g/mol
Exact Mass170.05
IUPAC Name3-fluoro-2-hydrazinylbenzoic acid
SMILESNNc1c(F)cccc1C(=O)O
InChIInChI=1S/C7H7FN2O2/c8-5-3-1-2-4(7(11)12)6(5)10-9/h1-3,10H,9H2,(H,11,12)
InChIKeySCAHQZJCMQKAMD-UHFFFAOYSA-N
XLogP0.81
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.14
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(chloroamino)-3-fluorobenzoic acid
CID 139823776
3-fluoro-2-(hydroxyamino)benzoic acid
CID 82863522
2-[(2,6-dihydroxybenzoyl)amino]-3-fluorobenzoic acid
CID 107688173
(3,5-dimethylpiperidin-1-yl)-(3-fluoro-2-hydrazinylphenyl)methanone
CID 55100115
3-fluoro-N-[(2-fluorophenyl)methyl]-2-hydrazinylbenzamide
CID 62660803
3-fluoro-2-(2-methylpropylamino)benzoic acid
CID 62649634
(3-fluoro-2-hydrazinylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 62660994
3-fluoro-2-hydrazinyl-N-(2-methylbutan-2-yl)benzamide
CID 62661471
N-(cyclopropylmethyl)-3-fluoro-2-hydrazinylbenzamide
CID 62660969
N-cyclopropyl-3-fluoro-2-hydrazinyl-N-methylbenzamide
CID 62662193
3-fluoro-2-(2-phenylethylamino)benzoic acid
CID 62650969
3-fluoro-2-(4-hydroxybutylamino)benzoic acid
CID 106842392

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-hydrazinylbenzoic acid?
The IUPAC name of 3-fluoro-2-hydrazinylbenzoic acid (CID 82007573) is 3-fluoro-2-hydrazinylbenzoic acid.
What is the SMILES notation for 3-fluoro-2-hydrazinylbenzoic acid?
The canonical SMILES for 3-fluoro-2-hydrazinylbenzoic acid is NNc1c(F)cccc1C(=O)O.
What is the InChIKey of 3-fluoro-2-hydrazinylbenzoic acid?
The InChIKey is SCAHQZJCMQKAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O2/c8-5-3-1-2-4(7(11)12)6(5)10-9/h1-3,10H,9H2,(H,11,12).
What are the key properties of 3-fluoro-2-hydrazinylbenzoic acid?
3-fluoro-2-hydrazinylbenzoic acid has a molecular weight of 170.14 g/mol, XLogP of 0.81, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-hydrazinylbenzoic acid is sourced from PubChem (CID 82007573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).