3-hydroxy-4-iodo-N-(1-methylpyrazol-3-yl)benzamide

C11H10IN3O2 — CID 104627523

IUPAC3-hydroxy-4-iodo-N-(1-methylpyrazol-3-yl)benzamide
SMILESCn1ccc(NC(=O)c2ccc(I)c(O)c2)n1
InChIInChI=1S/C11H10IN3O2/c1-15-5-4-10(14-15)13-11(17)7-2-3-8(12)9(16)6-7/h2-6,16H,1H3,(H,13,14,17)
InChIKeyGYKBONGYCUTPRS-UHFFFAOYSA-N
MW343.12 g/mol
LogP1.98
Rot. Bonds2

About 3-hydroxy-4-iodo-N-(1-methylpyrazol-3-yl)benzamide

3-hydroxy-4-iodo-N-(1-methylpyrazol-3-yl)benzamide (PubChem CID 104627523) has the molecular formula C11H10IN3O2 and a molecular weight of 343.12 g/mol. Its IUPAC name is 3-hydroxy-4-iodo-N-(1-methylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3-hydroxy-4-iodo-N-(1-methylpyrazol-3-yl)benzamide
PubChem CID104627523
Molecular FormulaC11H10IN3O2
Molecular Weight343.12 g/mol
Exact Mass342.98
IUPAC Name3-hydroxy-4-iodo-N-(1-methylpyrazol-3-yl)benzamide
SMILESCn1ccc(NC(=O)c2ccc(I)c(O)c2)n1
InChIInChI=1S/C11H10IN3O2/c1-15-5-4-10(14-15)13-11(17)7-2-3-8(12)9(16)6-7/h2-6,16H,1H3,(H,13,14,17)
InChIKeyGYKBONGYCUTPRS-UHFFFAOYSA-N
XLogP1.98
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.12
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-iodo-N-(1-methylpyrazol-3-yl)benzamide?
The IUPAC name of 3-hydroxy-4-iodo-N-(1-methylpyrazol-3-yl)benzamide (CID 104627523) is 3-hydroxy-4-iodo-N-(1-methylpyrazol-3-yl)benzamide.
What is the SMILES notation for 3-hydroxy-4-iodo-N-(1-methylpyrazol-3-yl)benzamide?
The canonical SMILES for 3-hydroxy-4-iodo-N-(1-methylpyrazol-3-yl)benzamide is Cn1ccc(NC(=O)c2ccc(I)c(O)c2)n1.
What is the InChIKey of 3-hydroxy-4-iodo-N-(1-methylpyrazol-3-yl)benzamide?
The InChIKey is GYKBONGYCUTPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10IN3O2/c1-15-5-4-10(14-15)13-11(17)7-2-3-8(12)9(16)6-7/h2-6,16H,1H3,(H,13,14,17).
What are the key properties of 3-hydroxy-4-iodo-N-(1-methylpyrazol-3-yl)benzamide?
3-hydroxy-4-iodo-N-(1-methylpyrazol-3-yl)benzamide has a molecular weight of 343.12 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-iodo-N-(1-methylpyrazol-3-yl)benzamide is sourced from PubChem (CID 104627523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).