2,4-dihydroxy-5-iodo-3-methylbenzamide

C8H8INO3 — CID 87861226

IUPAC2,4-dihydroxy-5-iodo-3-methylbenzamide
SMILESCc1c(O)c(I)cc(C(N)=O)c1O
InChIInChI=1S/C8H8INO3/c1-3-6(11)4(8(10)13)2-5(9)7(3)12/h2,11-12H,1H3,(H2,10,13)
InChIKeyLYCNCRDZWNHNTK-UHFFFAOYSA-N
MW293.06 g/mol
LogP1.11
Rot. Bonds1

About 2,4-dihydroxy-5-iodo-3-methylbenzamide

2,4-dihydroxy-5-iodo-3-methylbenzamide (PubChem CID 87861226) has the molecular formula C8H8INO3 and a molecular weight of 293.06 g/mol. Its IUPAC name is 2,4-dihydroxy-5-iodo-3-methylbenzamide.

Molecular Properties

Compound Name2,4-dihydroxy-5-iodo-3-methylbenzamide
PubChem CID87861226
Molecular FormulaC8H8INO3
Molecular Weight293.06 g/mol
Exact Mass292.95
IUPAC Name2,4-dihydroxy-5-iodo-3-methylbenzamide
SMILESCc1c(O)c(I)cc(C(N)=O)c1O
InChIInChI=1S/C8H8INO3/c1-3-6(11)4(8(10)13)2-5(9)7(3)12/h2,11-12H,1H3,(H2,10,13)
InChIKeyLYCNCRDZWNHNTK-UHFFFAOYSA-N
XLogP1.11
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.06
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-carbamoyl-4-hydroxy-2,3-dimethylbenzenesulfonic acid
CID 141021673
4-chloro-5-iodo-2-methylbenzamide
CID 171003552
3-amino-2-hydroxy-5-methylbenzamide
CID 59564180
5-chloro-4-iodo-2-methylbenzamide
CID 171003750
3-hydroxy-2,5-dimethylbenzamide
CID 119002669
5-iodo-2-methyl-4-nitrobenzamide
CID 171016017
2,6-diiodo-4-methylphenol
CID 4541084
1-(2-hydroxy-3-iodo-5-methylphenyl)ethanone
CID 15495651
2,4,6-triiodo-3-methylbenzamide
CID 175316367
3-chloro-4-hydroxy-5-iodobenzamide
CID 101017736
3-carbamoyl-2,5,6-triiodobenzoic acid
CID 88756924
4-hydroxy-3,5-diiodobenzoic acid
CID 12065

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-5-iodo-3-methylbenzamide?
The IUPAC name of 2,4-dihydroxy-5-iodo-3-methylbenzamide (CID 87861226) is 2,4-dihydroxy-5-iodo-3-methylbenzamide.
What is the SMILES notation for 2,4-dihydroxy-5-iodo-3-methylbenzamide?
The canonical SMILES for 2,4-dihydroxy-5-iodo-3-methylbenzamide is Cc1c(O)c(I)cc(C(N)=O)c1O.
What is the InChIKey of 2,4-dihydroxy-5-iodo-3-methylbenzamide?
The InChIKey is LYCNCRDZWNHNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8INO3/c1-3-6(11)4(8(10)13)2-5(9)7(3)12/h2,11-12H,1H3,(H2,10,13).
What are the key properties of 2,4-dihydroxy-5-iodo-3-methylbenzamide?
2,4-dihydroxy-5-iodo-3-methylbenzamide has a molecular weight of 293.06 g/mol, XLogP of 1.11, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-5-iodo-3-methylbenzamide is sourced from PubChem (CID 87861226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).