2-chloro-2-pyridazin-4-ylacetamide

C6H6ClN3O — CID 177333230

IUPAC2-chloro-2-pyridazin-4-ylacetamide
SMILESNC(=O)C(Cl)c1ccnnc1
InChIInChI=1S/C6H6ClN3O/c7-5(6(8)11)4-1-2-9-10-3-4/h1-3,5H,(H2,8,11)
InChIKeyBOYAKQDEHJPWQY-UHFFFAOYSA-N
MW171.59 g/mol
LogP0.24
Rot. Bonds2

About 2-chloro-2-pyridazin-4-ylacetamide

2-chloro-2-pyridazin-4-ylacetamide (PubChem CID 177333230) has the molecular formula C6H6ClN3O and a molecular weight of 171.59 g/mol. Its IUPAC name is 2-chloro-2-pyridazin-4-ylacetamide.

Molecular Properties

Compound Name2-chloro-2-pyridazin-4-ylacetamide
PubChem CID177333230
Molecular FormulaC6H6ClN3O
Molecular Weight171.59 g/mol
Exact Mass171.02
IUPAC Name2-chloro-2-pyridazin-4-ylacetamide
SMILESNC(=O)C(Cl)c1ccnnc1
InChIInChI=1S/C6H6ClN3O/c7-5(6(8)11)4-1-2-9-10-3-4/h1-3,5H,(H2,8,11)
InChIKeyBOYAKQDEHJPWQY-UHFFFAOYSA-N
XLogP0.24
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.59
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-pyridazin-4-ylacetamide?
The IUPAC name of 2-chloro-2-pyridazin-4-ylacetamide (CID 177333230) is 2-chloro-2-pyridazin-4-ylacetamide.
What is the SMILES notation for 2-chloro-2-pyridazin-4-ylacetamide?
The canonical SMILES for 2-chloro-2-pyridazin-4-ylacetamide is NC(=O)C(Cl)c1ccnnc1.
What is the InChIKey of 2-chloro-2-pyridazin-4-ylacetamide?
The InChIKey is BOYAKQDEHJPWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN3O/c7-5(6(8)11)4-1-2-9-10-3-4/h1-3,5H,(H2,8,11).
What are the key properties of 2-chloro-2-pyridazin-4-ylacetamide?
2-chloro-2-pyridazin-4-ylacetamide has a molecular weight of 171.59 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-pyridazin-4-ylacetamide is sourced from PubChem (CID 177333230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).