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

C14H8F3N3O — CID 154521414

IUPAC2-[3-(trifluoromethyl)phenyl]-6H-pyrido[2,3-d]pyridazin-5-one
SMILESO=c1[nH]ncc2nc(-c3cccc(C(F)(F)F)c3)ccc12
InChIInChI=1S/C14H8F3N3O/c15-14(16,17)9-3-1-2-8(6-9)11-5-4-10-12(19-11)7-18-20-13(10)21/h1-7H,(H,20,21)
InChIKeyQAWXEFSZEWABPF-UHFFFAOYSA-N
MW291.23 g/mol
LogP3.00
Rot. Bonds1

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

2-[3-(trifluoromethyl)phenyl]-6H-pyrido[2,3-d]pyridazin-5-one (PubChem CID 154521414) has the molecular formula C14H8F3N3O and a molecular weight of 291.23 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]-6H-pyrido[2,3-d]pyridazin-5-one.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]-6H-pyrido[2,3-d]pyridazin-5-one
PubChem CID154521414
Molecular FormulaC14H8F3N3O
Molecular Weight291.23 g/mol
Exact Mass291.06
IUPAC Name2-[3-(trifluoromethyl)phenyl]-6H-pyrido[2,3-d]pyridazin-5-one
SMILESO=c1[nH]ncc2nc(-c3cccc(C(F)(F)F)c3)ccc12
InChIInChI=1S/C14H8F3N3O/c15-14(16,17)9-3-1-2-8(6-9)11-5-4-10-12(19-11)7-18-20-13(10)21/h1-7H,(H,20,21)
InChIKeyQAWXEFSZEWABPF-UHFFFAOYSA-N
XLogP3.00
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-3-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one
CID 117127130
6-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 67173582
5-[3-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 20567072
6-[2-[3-(trifluoromethyl)phenyl]acetyl]-2H-phthalazin-1-one
CID 58447239
3-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carbaldehyde
CID 62111840
4-bromo-5-[3-(trifluoromethyl)phenyl]-1H-pyrazole
CID 61394933
5-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one;hydrochloride
CID 141001712
3-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde
CID 88932507
3-fluoro-4-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 133091798
7-azabicyclo[2.2.1]heptane;3-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one
CID 67154905
2-methyl-3-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]propanoic acid
CID 105424032
3-nitro-2,6-bis[3-(trifluoromethyl)phenyl]pyridine
CID 134618277

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)phenyl]-6H-pyrido[2,3-d]pyridazin-5-one?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]-6H-pyrido[2,3-d]pyridazin-5-one (CID 154521414) is 2-[3-(trifluoromethyl)phenyl]-6H-pyrido[2,3-d]pyridazin-5-one.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]-6H-pyrido[2,3-d]pyridazin-5-one?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]-6H-pyrido[2,3-d]pyridazin-5-one is O=c1[nH]ncc2nc(-c3cccc(C(F)(F)F)c3)ccc12.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]-6H-pyrido[2,3-d]pyridazin-5-one?
The InChIKey is QAWXEFSZEWABPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3O/c15-14(16,17)9-3-1-2-8(6-9)11-5-4-10-12(19-11)7-18-20-13(10)21/h1-7H,(H,20,21).
What are the key properties of 2-[3-(trifluoromethyl)phenyl]-6H-pyrido[2,3-d]pyridazin-5-one?
2-[3-(trifluoromethyl)phenyl]-6H-pyrido[2,3-d]pyridazin-5-one has a molecular weight of 291.23 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenyl]-6H-pyrido[2,3-d]pyridazin-5-one is sourced from PubChem (CID 154521414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).