fluoro 3-(3-amino-2-hydroxyphenyl)benzoate

C13H10FNO3 — CID 144892147

IUPACfluoro 3-(3-amino-2-hydroxyphenyl)benzoate
SMILESNc1cccc(-c2cccc(C(=O)OF)c2)c1O
InChIInChI=1S/C13H10FNO3/c14-18-13(17)9-4-1-3-8(7-9)10-5-2-6-11(15)12(10)16/h1-7,16H,15H2
InChIKeyRIKNOOTZIZDNGE-UHFFFAOYSA-N
MW247.23 g/mol
LogP2.68
Rot. Bonds2

About fluoro 3-(3-amino-2-hydroxyphenyl)benzoate

fluoro 3-(3-amino-2-hydroxyphenyl)benzoate (PubChem CID 144892147) has the molecular formula C13H10FNO3 and a molecular weight of 247.23 g/mol. Its IUPAC name is fluoro 3-(3-amino-2-hydroxyphenyl)benzoate.

Molecular Properties

Compound Namefluoro 3-(3-amino-2-hydroxyphenyl)benzoate
PubChem CID144892147
Molecular FormulaC13H10FNO3
Molecular Weight247.23 g/mol
Exact Mass247.06
IUPAC Namefluoro 3-(3-amino-2-hydroxyphenyl)benzoate
SMILESNc1cccc(-c2cccc(C(=O)OF)c2)c1O
InChIInChI=1S/C13H10FNO3/c14-18-13(17)9-4-1-3-8(7-9)10-5-2-6-11(15)12(10)16/h1-7,16H,15H2
InChIKeyRIKNOOTZIZDNGE-UHFFFAOYSA-N
XLogP2.68
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of fluoro 3-(3-amino-2-hydroxyphenyl)benzoate?
The IUPAC name of fluoro 3-(3-amino-2-hydroxyphenyl)benzoate (CID 144892147) is fluoro 3-(3-amino-2-hydroxyphenyl)benzoate.
What is the SMILES notation for fluoro 3-(3-amino-2-hydroxyphenyl)benzoate?
The canonical SMILES for fluoro 3-(3-amino-2-hydroxyphenyl)benzoate is Nc1cccc(-c2cccc(C(=O)OF)c2)c1O.
What is the InChIKey of fluoro 3-(3-amino-2-hydroxyphenyl)benzoate?
The InChIKey is RIKNOOTZIZDNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3/c14-18-13(17)9-4-1-3-8(7-9)10-5-2-6-11(15)12(10)16/h1-7,16H,15H2.
What are the key properties of fluoro 3-(3-amino-2-hydroxyphenyl)benzoate?
fluoro 3-(3-amino-2-hydroxyphenyl)benzoate has a molecular weight of 247.23 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 3-(3-amino-2-hydroxyphenyl)benzoate is sourced from PubChem (CID 144892147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).