2-amino-3-fluoro-6-(2-iodophenoxy)benzoic acid

C13H9FINO3 — CID 83215477

IUPAC2-amino-3-fluoro-6-(2-iodophenoxy)benzoic acid
SMILESNc1c(F)ccc(Oc2ccccc2I)c1C(=O)O
InChIInChI=1S/C13H9FINO3/c14-7-5-6-10(11(12(7)16)13(17)18)19-9-4-2-1-3-8(9)15/h1-6H,16H2,(H,17,18)
InChIKeyXXNCPCLWVIEXGZ-UHFFFAOYSA-N
MW373.12 g/mol
LogP3.50
Rot. Bonds3

About 2-amino-3-fluoro-6-(2-iodophenoxy)benzoic acid

2-amino-3-fluoro-6-(2-iodophenoxy)benzoic acid (PubChem CID 83215477) has the molecular formula C13H9FINO3 and a molecular weight of 373.12 g/mol. Its IUPAC name is 2-amino-3-fluoro-6-(2-iodophenoxy)benzoic acid.

Molecular Properties

Compound Name2-amino-3-fluoro-6-(2-iodophenoxy)benzoic acid
PubChem CID83215477
Molecular FormulaC13H9FINO3
Molecular Weight373.12 g/mol
Exact Mass372.96
IUPAC Name2-amino-3-fluoro-6-(2-iodophenoxy)benzoic acid
SMILESNc1c(F)ccc(Oc2ccccc2I)c1C(=O)O
InChIInChI=1S/C13H9FINO3/c14-7-5-6-10(11(12(7)16)13(17)18)19-9-4-2-1-3-8(9)15/h1-6H,16H2,(H,17,18)
InChIKeyXXNCPCLWVIEXGZ-UHFFFAOYSA-N
XLogP3.50
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.12
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-fluoro-6-(2-methylsulfanylphenoxy)benzoic acid
CID 83215087
2-amino-6-(2-ethoxyphenoxy)-3-fluorobenzoic acid
CID 83206714
2-amino-6-(2,3-dichlorophenoxy)-3-fluorobenzoic acid
CID 83214912
2-amino-3-fluoro-6-(2,4,5-trichlorophenoxy)benzoic acid
CID 83206717
1-fluoro-2-(2-iodophenoxy)benzene
CID 11849671
2-amino-6-cyclobutyloxy-3-fluorobenzoic acid
CID 83215642
2-iodo-6-phenoxybenzoic acid
CID 139966933
2-amino-6-(4-chloro-3-methylphenoxy)-3-fluorobenzoic acid
CID 83214998
2-amino-3-fluoro-6-(4-methylpentan-2-yloxy)benzoic acid
CID 83215718
2-amino-6-fluoro-3-(trifluoromethoxy)benzoic acid
CID 119018842
3-amino-2-(2-iodophenoxy)benzoic acid
CID 112579765
2-amino-6-[(4-bromophenyl)methoxy]-3-fluorobenzoic acid
CID 83215251

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-6-(2-iodophenoxy)benzoic acid?
The IUPAC name of 2-amino-3-fluoro-6-(2-iodophenoxy)benzoic acid (CID 83215477) is 2-amino-3-fluoro-6-(2-iodophenoxy)benzoic acid.
What is the SMILES notation for 2-amino-3-fluoro-6-(2-iodophenoxy)benzoic acid?
The canonical SMILES for 2-amino-3-fluoro-6-(2-iodophenoxy)benzoic acid is Nc1c(F)ccc(Oc2ccccc2I)c1C(=O)O.
What is the InChIKey of 2-amino-3-fluoro-6-(2-iodophenoxy)benzoic acid?
The InChIKey is XXNCPCLWVIEXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FINO3/c14-7-5-6-10(11(12(7)16)13(17)18)19-9-4-2-1-3-8(9)15/h1-6H,16H2,(H,17,18).
What are the key properties of 2-amino-3-fluoro-6-(2-iodophenoxy)benzoic acid?
2-amino-3-fluoro-6-(2-iodophenoxy)benzoic acid has a molecular weight of 373.12 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-6-(2-iodophenoxy)benzoic acid is sourced from PubChem (CID 83215477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).