N-[3-(2-hydroxy-5-iodo-2H-pyridin-1-yl)phenyl]acetamide

C13H13IN2O2 — CID 141254672

IUPACN-[3-(2-hydroxy-5-iodo-2H-pyridin-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(N2C=C(I)C=CC2O)c1
InChIInChI=1S/C13H13IN2O2/c1-9(17)15-11-3-2-4-12(7-11)16-8-10(14)5-6-13(16)18/h2-8,13,18H,1H3,(H,15,17)
InChIKeyYHLIXTPZCWJWST-UHFFFAOYSA-N
MW356.16 g/mol
LogP2.62
Rot. Bonds2

About N-[3-(2-hydroxy-5-iodo-2H-pyridin-1-yl)phenyl]acetamide

N-[3-(2-hydroxy-5-iodo-2H-pyridin-1-yl)phenyl]acetamide (PubChem CID 141254672) has the molecular formula C13H13IN2O2 and a molecular weight of 356.16 g/mol. Its IUPAC name is N-[3-(2-hydroxy-5-iodo-2H-pyridin-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-hydroxy-5-iodo-2H-pyridin-1-yl)phenyl]acetamide
PubChem CID141254672
Molecular FormulaC13H13IN2O2
Molecular Weight356.16 g/mol
Exact Mass356.00
IUPAC NameN-[3-(2-hydroxy-5-iodo-2H-pyridin-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(N2C=C(I)C=CC2O)c1
InChIInChI=1S/C13H13IN2O2/c1-9(17)15-11-3-2-4-12(7-11)16-8-10(14)5-6-13(16)18/h2-8,13,18H,1H3,(H,15,17)
InChIKeyYHLIXTPZCWJWST-UHFFFAOYSA-N
XLogP2.62
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.16
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-hydroxy-5-iodo-2H-pyridin-1-yl)phenyl]acetamide?
The IUPAC name of N-[3-(2-hydroxy-5-iodo-2H-pyridin-1-yl)phenyl]acetamide (CID 141254672) is N-[3-(2-hydroxy-5-iodo-2H-pyridin-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-(2-hydroxy-5-iodo-2H-pyridin-1-yl)phenyl]acetamide?
The canonical SMILES for N-[3-(2-hydroxy-5-iodo-2H-pyridin-1-yl)phenyl]acetamide is CC(=O)Nc1cccc(N2C=C(I)C=CC2O)c1.
What is the InChIKey of N-[3-(2-hydroxy-5-iodo-2H-pyridin-1-yl)phenyl]acetamide?
The InChIKey is YHLIXTPZCWJWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13IN2O2/c1-9(17)15-11-3-2-4-12(7-11)16-8-10(14)5-6-13(16)18/h2-8,13,18H,1H3,(H,15,17).
What are the key properties of N-[3-(2-hydroxy-5-iodo-2H-pyridin-1-yl)phenyl]acetamide?
N-[3-(2-hydroxy-5-iodo-2H-pyridin-1-yl)phenyl]acetamide has a molecular weight of 356.16 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-hydroxy-5-iodo-2H-pyridin-1-yl)phenyl]acetamide is sourced from PubChem (CID 141254672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).