2-[3-(trifluoromethyl)-2-pyridinyl]-6H-pyrido[2,3-d]pyridazin-5-one

C13H7F3N4O — CID 69143073

IUPAC2-[3-(trifluoromethyl)-2-pyridinyl]-6H-pyrido[2,3-d]pyridazin-5-one
SMILESO=c1[nH]ncc2nc(-c3ncccc3C(F)(F)F)ccc12
InChIInChI=1S/C13H7F3N4O/c14-13(15,16)8-2-1-5-17-11(8)9-4-3-7-10(19-9)6-18-20-12(7)21/h1-6H,(H,20,21)
InChIKeyCGBHINQFFNEDMX-UHFFFAOYSA-N
MW292.22 g/mol
LogP2.40
Rot. Bonds1

About 2-[3-(trifluoromethyl)-2-pyridinyl]-6H-pyrido[2,3-d]pyridazin-5-one

2-[3-(trifluoromethyl)-2-pyridinyl]-6H-pyrido[2,3-d]pyridazin-5-one (PubChem CID 69143073) has the molecular formula C13H7F3N4O and a molecular weight of 292.22 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)-2-pyridinyl]-6H-pyrido[2,3-d]pyridazin-5-one.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)-2-pyridinyl]-6H-pyrido[2,3-d]pyridazin-5-one
PubChem CID69143073
Molecular FormulaC13H7F3N4O
Molecular Weight292.22 g/mol
Exact Mass292.06
IUPAC Name2-[3-(trifluoromethyl)-2-pyridinyl]-6H-pyrido[2,3-d]pyridazin-5-one
SMILESO=c1[nH]ncc2nc(-c3ncccc3C(F)(F)F)ccc12
InChIInChI=1S/C13H7F3N4O/c14-13(15,16)8-2-1-5-17-11(8)9-4-3-7-10(19-9)6-18-20-12(7)21/h1-6H,(H,20,21)
InChIKeyCGBHINQFFNEDMX-UHFFFAOYSA-N
XLogP2.40
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)-2-pyridinyl]-6H-pyrido[2,3-d]pyridazin-5-one?
The IUPAC name of 2-[3-(trifluoromethyl)-2-pyridinyl]-6H-pyrido[2,3-d]pyridazin-5-one (CID 69143073) is 2-[3-(trifluoromethyl)-2-pyridinyl]-6H-pyrido[2,3-d]pyridazin-5-one.
What is the SMILES notation for 2-[3-(trifluoromethyl)-2-pyridinyl]-6H-pyrido[2,3-d]pyridazin-5-one?
The canonical SMILES for 2-[3-(trifluoromethyl)-2-pyridinyl]-6H-pyrido[2,3-d]pyridazin-5-one is O=c1[nH]ncc2nc(-c3ncccc3C(F)(F)F)ccc12.
What is the InChIKey of 2-[3-(trifluoromethyl)-2-pyridinyl]-6H-pyrido[2,3-d]pyridazin-5-one?
The InChIKey is CGBHINQFFNEDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N4O/c14-13(15,16)8-2-1-5-17-11(8)9-4-3-7-10(19-9)6-18-20-12(7)21/h1-6H,(H,20,21).
What are the key properties of 2-[3-(trifluoromethyl)-2-pyridinyl]-6H-pyrido[2,3-d]pyridazin-5-one?
2-[3-(trifluoromethyl)-2-pyridinyl]-6H-pyrido[2,3-d]pyridazin-5-one has a molecular weight of 292.22 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)-2-pyridinyl]-6H-pyrido[2,3-d]pyridazin-5-one is sourced from PubChem (CID 69143073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).