N-(6-chloropyridazin-3-yl)-2,2,2-trifluoroacetamide

C6H3ClF3N3O — CID 86235795

IUPACN-(6-chloropyridazin-3-yl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccc(Cl)nn1)C(F)(F)F
InChIInChI=1S/C6H3ClF3N3O/c7-3-1-2-4(13-12-3)11-5(14)6(8,9)10/h1-2H,(H,11,13,14)
InChIKeyQVHDAVIMJZVVFY-UHFFFAOYSA-N
MW225.56 g/mol
LogP1.63
Rot. Bonds1

About N-(6-chloropyridazin-3-yl)-2,2,2-trifluoroacetamide

N-(6-chloropyridazin-3-yl)-2,2,2-trifluoroacetamide (PubChem CID 86235795) has the molecular formula C6H3ClF3N3O and a molecular weight of 225.56 g/mol. Its IUPAC name is N-(6-chloropyridazin-3-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(6-chloropyridazin-3-yl)-2,2,2-trifluoroacetamide
PubChem CID86235795
Molecular FormulaC6H3ClF3N3O
Molecular Weight225.56 g/mol
Exact Mass224.99
IUPAC NameN-(6-chloropyridazin-3-yl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccc(Cl)nn1)C(F)(F)F
InChIInChI=1S/C6H3ClF3N3O/c7-3-1-2-4(13-12-3)11-5(14)6(8,9)10/h1-2H,(H,11,13,14)
InChIKeyQVHDAVIMJZVVFY-UHFFFAOYSA-N
XLogP1.63
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.56
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyridazin-3-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(6-chloropyridazin-3-yl)-2,2,2-trifluoroacetamide (CID 86235795) is N-(6-chloropyridazin-3-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(6-chloropyridazin-3-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(6-chloropyridazin-3-yl)-2,2,2-trifluoroacetamide is O=C(Nc1ccc(Cl)nn1)C(F)(F)F.
What is the InChIKey of N-(6-chloropyridazin-3-yl)-2,2,2-trifluoroacetamide?
The InChIKey is QVHDAVIMJZVVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF3N3O/c7-3-1-2-4(13-12-3)11-5(14)6(8,9)10/h1-2H,(H,11,13,14).
What are the key properties of N-(6-chloropyridazin-3-yl)-2,2,2-trifluoroacetamide?
N-(6-chloropyridazin-3-yl)-2,2,2-trifluoroacetamide has a molecular weight of 225.56 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyridazin-3-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 86235795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).