2-amino-3-hydroxy-6-iodobenzoic acid

C7H6INO3 — CID 130140335

IUPAC2-amino-3-hydroxy-6-iodobenzoic acid
SMILESNc1c(O)ccc(I)c1C(=O)O
InChIInChI=1S/C7H6INO3/c8-3-1-2-4(10)6(9)5(3)7(11)12/h1-2,10H,9H2,(H,11,12)
InChIKeyGMZPZVYPLKTRPL-UHFFFAOYSA-N
MW279.03 g/mol
LogP1.28
Rot. Bonds1

About 2-amino-3-hydroxy-6-iodobenzoic acid

2-amino-3-hydroxy-6-iodobenzoic acid (PubChem CID 130140335) has the molecular formula C7H6INO3 and a molecular weight of 279.03 g/mol. Its IUPAC name is 2-amino-3-hydroxy-6-iodobenzoic acid.

Molecular Properties

Compound Name2-amino-3-hydroxy-6-iodobenzoic acid
PubChem CID130140335
Molecular FormulaC7H6INO3
Molecular Weight279.03 g/mol
Exact Mass278.94
IUPAC Name2-amino-3-hydroxy-6-iodobenzoic acid
SMILESNc1c(O)ccc(I)c1C(=O)O
InChIInChI=1S/C7H6INO3/c8-3-1-2-4(10)6(9)5(3)7(11)12/h1-2,10H,9H2,(H,11,12)
InChIKeyGMZPZVYPLKTRPL-UHFFFAOYSA-N
XLogP1.28
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.03
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-chloro-3-hydroxybenzoic acid
CID 71381631
2-amino-6-bromo-3-iodobenzoic acid
CID 177369050
2-amino-3-hydroxy-6-nitrobenzoic acid
CID 138958646
2-amino-6-iodobenzoic acid
CID 12761007
3-amino-2-fluoro-4-hydroxybenzoic acid
CID 84653967
3-amino-2-bromo-4-hydroxybenzoic acid
CID 84695246
6-amino-3-iodo-2-(trifluoromethyl)benzoic acid
CID 131300034
3-amino-2-fluoro-4-iodobenzoic acid
CID 131563992
2-bromo-3-chloro-6-iodobenzoic acid
CID 131588144
1-(2-bromo-3-hydroxy-6-iodophenyl)ethanone
CID 131331326
3-fluoro-6-iodo-2-methylbenzoic acid
CID 71149386
3,6-dihydroxyphthalic acid;5-methylbenzene-1,3-diamine
CID 135187783

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-6-iodobenzoic acid?
The IUPAC name of 2-amino-3-hydroxy-6-iodobenzoic acid (CID 130140335) is 2-amino-3-hydroxy-6-iodobenzoic acid.
What is the SMILES notation for 2-amino-3-hydroxy-6-iodobenzoic acid?
The canonical SMILES for 2-amino-3-hydroxy-6-iodobenzoic acid is Nc1c(O)ccc(I)c1C(=O)O.
What is the InChIKey of 2-amino-3-hydroxy-6-iodobenzoic acid?
The InChIKey is GMZPZVYPLKTRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6INO3/c8-3-1-2-4(10)6(9)5(3)7(11)12/h1-2,10H,9H2,(H,11,12).
What are the key properties of 2-amino-3-hydroxy-6-iodobenzoic acid?
2-amino-3-hydroxy-6-iodobenzoic acid has a molecular weight of 279.03 g/mol, XLogP of 1.28, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-6-iodobenzoic acid is sourced from PubChem (CID 130140335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).