2-chloro-N-pyridazin-4-ylacetamide

C6H6ClN3O — CID 67311698

IUPAC2-chloro-N-pyridazin-4-ylacetamide
SMILESO=C(CCl)Nc1ccnnc1
InChIInChI=1S/C6H6ClN3O/c7-3-6(11)10-5-1-2-8-9-4-5/h1-2,4H,3H2,(H,8,10,11)
InChIKeyUBWYVMPYSALWGE-UHFFFAOYSA-N
MW171.59 g/mol
LogP0.65
Rot. Bonds2

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

2-chloro-N-pyridazin-4-ylacetamide (PubChem CID 67311698) has the molecular formula C6H6ClN3O and a molecular weight of 171.59 g/mol. Its IUPAC name is 2-chloro-N-pyridazin-4-ylacetamide.

Molecular Properties

Compound Name2-chloro-N-pyridazin-4-ylacetamide
PubChem CID67311698
Molecular FormulaC6H6ClN3O
Molecular Weight171.59 g/mol
Exact Mass171.02
IUPAC Name2-chloro-N-pyridazin-4-ylacetamide
SMILESO=C(CCl)Nc1ccnnc1
InChIInChI=1S/C6H6ClN3O/c7-3-6(11)10-5-1-2-8-9-4-5/h1-2,4H,3H2,(H,8,10,11)
InChIKeyUBWYVMPYSALWGE-UHFFFAOYSA-N
XLogP0.65
TPSA54.88 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 ≤ 50.65
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-N-pyridazin-4-ylacetamide?
The IUPAC name of 2-chloro-N-pyridazin-4-ylacetamide (CID 67311698) is 2-chloro-N-pyridazin-4-ylacetamide.
What is the SMILES notation for 2-chloro-N-pyridazin-4-ylacetamide?
The canonical SMILES for 2-chloro-N-pyridazin-4-ylacetamide is O=C(CCl)Nc1ccnnc1.
What is the InChIKey of 2-chloro-N-pyridazin-4-ylacetamide?
The InChIKey is UBWYVMPYSALWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN3O/c7-3-6(11)10-5-1-2-8-9-4-5/h1-2,4H,3H2,(H,8,10,11).
What are the key properties of 2-chloro-N-pyridazin-4-ylacetamide?
2-chloro-N-pyridazin-4-ylacetamide has a molecular weight of 171.59 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-pyridazin-4-ylacetamide is sourced from PubChem (CID 67311698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).