N-(2-methylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide

C11H9Cl3N4O2 — CID 19890366

IUPACN-(2-methylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide
SMILESCn1nccc1NC(=O)COc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C11H9Cl3N4O2/c1-18-8(2-3-15-18)16-9(19)5-20-11-7(13)4-6(12)10(14)17-11/h2-4H,5H2,1H3,(H,16,19)
InChIKeyZITFCIFWCFDJOX-UHFFFAOYSA-N
MW335.58 g/mol
LogP2.79
Rot. Bonds4

About N-(2-methylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide

N-(2-methylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide (PubChem CID 19890366) has the molecular formula C11H9Cl3N4O2 and a molecular weight of 335.58 g/mol. Its IUPAC name is N-(2-methylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide.

Molecular Properties

Compound NameN-(2-methylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide
PubChem CID19890366
Molecular FormulaC11H9Cl3N4O2
Molecular Weight335.58 g/mol
Exact Mass333.98
IUPAC NameN-(2-methylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide
SMILESCn1nccc1NC(=O)COc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C11H9Cl3N4O2/c1-18-8(2-3-15-18)16-9(19)5-20-11-7(13)4-6(12)10(14)17-11/h2-4H,5H2,1H3,(H,16,19)
InChIKeyZITFCIFWCFDJOX-UHFFFAOYSA-N
XLogP2.79
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.58
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide?
The IUPAC name of N-(2-methylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide (CID 19890366) is N-(2-methylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide.
What is the SMILES notation for N-(2-methylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide?
The canonical SMILES for N-(2-methylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide is Cn1nccc1NC(=O)COc1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of N-(2-methylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide?
The InChIKey is ZITFCIFWCFDJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl3N4O2/c1-18-8(2-3-15-18)16-9(19)5-20-11-7(13)4-6(12)10(14)17-11/h2-4H,5H2,1H3,(H,16,19).
What are the key properties of N-(2-methylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide?
N-(2-methylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide has a molecular weight of 335.58 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide is sourced from PubChem (CID 19890366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).