1-[(6-chloropyridazin-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-one

C11H7ClF3N3O — CID 104513961

IUPAC1-[(6-chloropyridazin-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1Cc1ccc(Cl)nn1
InChIInChI=1S/C11H7ClF3N3O/c12-9-3-2-8(16-17-9)6-18-5-7(11(13,14)15)1-4-10(18)19/h1-5H,6H2
InChIKeyFTRCHHVXOXXUIQ-UHFFFAOYSA-N
MW289.64 g/mol
LogP2.36
Rot. Bonds2

About 1-[(6-chloropyridazin-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-one

1-[(6-chloropyridazin-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 104513961) has the molecular formula C11H7ClF3N3O and a molecular weight of 289.64 g/mol. Its IUPAC name is 1-[(6-chloropyridazin-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(6-chloropyridazin-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID104513961
Molecular FormulaC11H7ClF3N3O
Molecular Weight289.64 g/mol
Exact Mass289.02
IUPAC Name1-[(6-chloropyridazin-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1Cc1ccc(Cl)nn1
InChIInChI=1S/C11H7ClF3N3O/c12-9-3-2-8(16-17-9)6-18-5-7(11(13,14)15)1-4-10(18)19/h1-5H,6H2
InChIKeyFTRCHHVXOXXUIQ-UHFFFAOYSA-N
XLogP2.36
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.64
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloropyridazin-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[(6-chloropyridazin-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-one (CID 104513961) is 1-[(6-chloropyridazin-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[(6-chloropyridazin-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[(6-chloropyridazin-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-one is O=c1ccc(C(F)(F)F)cn1Cc1ccc(Cl)nn1.
What is the InChIKey of 1-[(6-chloropyridazin-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is FTRCHHVXOXXUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3N3O/c12-9-3-2-8(16-17-9)6-18-5-7(11(13,14)15)1-4-10(18)19/h1-5H,6H2.
What are the key properties of 1-[(6-chloropyridazin-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-one?
1-[(6-chloropyridazin-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 289.64 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloropyridazin-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 104513961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).