2-[2-(2,6-dichloro-4-hydroxyanilino)-5-iodooxyphenyl]acetic acid

C14H10Cl2INO4 — CID 134402841

IUPAC2-[2-(2,6-dichloro-4-hydroxyanilino)-5-iodooxyphenyl]acetic acid
SMILESO=C(O)Cc1cc(OI)ccc1Nc1c(Cl)cc(O)cc1Cl
InChIInChI=1S/C14H10Cl2INO4/c15-10-5-8(19)6-11(16)14(10)18-12-2-1-9(22-17)3-7(12)4-13(20)21/h1-3,5-6,18-19H,4H2,(H,20,21)
InChIKeyUJHJFPVCCRQAFB-UHFFFAOYSA-N
MW454.05 g/mol
LogP4.80
Rot. Bonds5

About 2-[2-(2,6-dichloro-4-hydroxyanilino)-5-iodooxyphenyl]acetic acid

2-[2-(2,6-dichloro-4-hydroxyanilino)-5-iodooxyphenyl]acetic acid (PubChem CID 134402841) has the molecular formula C14H10Cl2INO4 and a molecular weight of 454.05 g/mol. Its IUPAC name is 2-[2-(2,6-dichloro-4-hydroxyanilino)-5-iodooxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(2,6-dichloro-4-hydroxyanilino)-5-iodooxyphenyl]acetic acid
PubChem CID134402841
Molecular FormulaC14H10Cl2INO4
Molecular Weight454.05 g/mol
Exact Mass452.90
IUPAC Name2-[2-(2,6-dichloro-4-hydroxyanilino)-5-iodooxyphenyl]acetic acid
SMILESO=C(O)Cc1cc(OI)ccc1Nc1c(Cl)cc(O)cc1Cl
InChIInChI=1S/C14H10Cl2INO4/c15-10-5-8(19)6-11(16)14(10)18-12-2-1-9(22-17)3-7(12)4-13(20)21/h1-3,5-6,18-19H,4H2,(H,20,21)
InChIKeyUJHJFPVCCRQAFB-UHFFFAOYSA-N
XLogP4.80
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.05
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2,6-dichloro-4-methoxyanilino)phenyl]acetic acid
CID 14389786
2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrate
CID 68653725
strontium;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydride
CID 173032882
2-(5-hydroxy-2-iodooxyphenyl)acetic acid
CID 174312460
2-[5-chloro-2-(2,3,6-trimethylanilino)phenyl]acetic acid
CID 23275756
sodium 2-[2-(2,6-dichloro-4-fluoroanilino)-5-fluorophenyl]acetate
CID 23689693
(2S,3S,4S,5R,6S)-6-[2-[2-(2,6-dichloro-4-hydroxyanilino)phenyl]acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 102050943
2-[2-[2-(2,6-dichloro-4-sulfooxyanilino)phenyl]acetyl]oxyacetic acid
CID 154700133
2,2-dideuterio-2-[2-(2,6-dichloroanilino)phenyl]acetic acid
CID 10661763
N-(2-chloro-4-hydroxyphenyl)-2-methoxyacetamide
CID 64786575
2-(5-boronooxy-2-chlorophenyl)acetic acid
CID 153409389
2-[2-(2-chloro-4-fluoroanilino)-5-methylphenyl]acetic acid
CID 141066833

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dichloro-4-hydroxyanilino)-5-iodooxyphenyl]acetic acid?
The IUPAC name of 2-[2-(2,6-dichloro-4-hydroxyanilino)-5-iodooxyphenyl]acetic acid (CID 134402841) is 2-[2-(2,6-dichloro-4-hydroxyanilino)-5-iodooxyphenyl]acetic acid.
What is the SMILES notation for 2-[2-(2,6-dichloro-4-hydroxyanilino)-5-iodooxyphenyl]acetic acid?
The canonical SMILES for 2-[2-(2,6-dichloro-4-hydroxyanilino)-5-iodooxyphenyl]acetic acid is O=C(O)Cc1cc(OI)ccc1Nc1c(Cl)cc(O)cc1Cl.
What is the InChIKey of 2-[2-(2,6-dichloro-4-hydroxyanilino)-5-iodooxyphenyl]acetic acid?
The InChIKey is UJHJFPVCCRQAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2INO4/c15-10-5-8(19)6-11(16)14(10)18-12-2-1-9(22-17)3-7(12)4-13(20)21/h1-3,5-6,18-19H,4H2,(H,20,21).
What are the key properties of 2-[2-(2,6-dichloro-4-hydroxyanilino)-5-iodooxyphenyl]acetic acid?
2-[2-(2,6-dichloro-4-hydroxyanilino)-5-iodooxyphenyl]acetic acid has a molecular weight of 454.05 g/mol, XLogP of 4.80, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dichloro-4-hydroxyanilino)-5-iodooxyphenyl]acetic acid is sourced from PubChem (CID 134402841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).