2,2,2-trifluoro-N-[3-(6-methoxypyridazin-3-yl)phenyl]acetamide

C13H10F3N3O2 — CID 7593502

IUPAC2,2,2-trifluoro-N-[3-(6-methoxypyridazin-3-yl)phenyl]acetamide
SMILESCOc1ccc(-c2cccc(NC(=O)C(F)(F)F)c2)nn1
InChIInChI=1S/C13H10F3N3O2/c1-21-11-6-5-10(18-19-11)8-3-2-4-9(7-8)17-12(20)13(14,15)16/h2-7H,1H3,(H,17,20)
InChIKeyIVCBUZVSNBALRR-UHFFFAOYSA-N
MW297.24 g/mol
LogP2.65
Rot. Bonds3

About 2,2,2-trifluoro-N-[3-(6-methoxypyridazin-3-yl)phenyl]acetamide

2,2,2-trifluoro-N-[3-(6-methoxypyridazin-3-yl)phenyl]acetamide (PubChem CID 7593502) has the molecular formula C13H10F3N3O2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[3-(6-methoxypyridazin-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[3-(6-methoxypyridazin-3-yl)phenyl]acetamide
PubChem CID7593502
Molecular FormulaC13H10F3N3O2
Molecular Weight297.24 g/mol
Exact Mass297.07
IUPAC Name2,2,2-trifluoro-N-[3-(6-methoxypyridazin-3-yl)phenyl]acetamide
SMILESCOc1ccc(-c2cccc(NC(=O)C(F)(F)F)c2)nn1
InChIInChI=1S/C13H10F3N3O2/c1-21-11-6-5-10(18-19-11)8-3-2-4-9(7-8)17-12(20)13(14,15)16/h2-7H,1H3,(H,17,20)
InChIKeyIVCBUZVSNBALRR-UHFFFAOYSA-N
XLogP2.65
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[3-(6-methoxypyridazin-3-yl)phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[3-(6-methoxypyridazin-3-yl)phenyl]acetamide (CID 7593502) is 2,2,2-trifluoro-N-[3-(6-methoxypyridazin-3-yl)phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[3-(6-methoxypyridazin-3-yl)phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[3-(6-methoxypyridazin-3-yl)phenyl]acetamide is COc1ccc(-c2cccc(NC(=O)C(F)(F)F)c2)nn1.
What is the InChIKey of 2,2,2-trifluoro-N-[3-(6-methoxypyridazin-3-yl)phenyl]acetamide?
The InChIKey is IVCBUZVSNBALRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O2/c1-21-11-6-5-10(18-19-11)8-3-2-4-9(7-8)17-12(20)13(14,15)16/h2-7H,1H3,(H,17,20).
What are the key properties of 2,2,2-trifluoro-N-[3-(6-methoxypyridazin-3-yl)phenyl]acetamide?
2,2,2-trifluoro-N-[3-(6-methoxypyridazin-3-yl)phenyl]acetamide has a molecular weight of 297.24 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[3-(6-methoxypyridazin-3-yl)phenyl]acetamide is sourced from PubChem (CID 7593502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).