6-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyridazin-5-one

C16H12F3N3O2 — CID 111448453

IUPAC6-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyridazin-5-one
SMILESO=c1c2cccnc2cnn1CC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H12F3N3O2/c17-16(18,19)11-5-3-10(4-6-11)14(23)9-22-15(24)12-2-1-7-20-13(12)8-21-22/h1-8,14,23H,9H2
InChIKeyFKESAHDTOFXVIS-UHFFFAOYSA-N
MW335.29 g/mol
LogP2.54
Rot. Bonds3

About 6-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyridazin-5-one

6-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyridazin-5-one (PubChem CID 111448453) has the molecular formula C16H12F3N3O2 and a molecular weight of 335.29 g/mol. Its IUPAC name is 6-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyridazin-5-one.

Molecular Properties

Compound Name6-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyridazin-5-one
PubChem CID111448453
Molecular FormulaC16H12F3N3O2
Molecular Weight335.29 g/mol
Exact Mass335.09
IUPAC Name6-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyridazin-5-one
SMILESO=c1c2cccnc2cnn1CC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H12F3N3O2/c17-16(18,19)11-5-3-10(4-6-11)14(23)9-22-15(24)12-2-1-7-20-13(12)8-21-22/h1-8,14,23H,9H2
InChIKeyFKESAHDTOFXVIS-UHFFFAOYSA-N
XLogP2.54
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-2-phenylethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 2812767
[3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-3-ylmethanone
CID 3147057
N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 58315627
N-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 58315763
3-Pyridinecarboxamide, N-(4-(1-hydroxy-2,2,2-trifluoroethyl)phenyl)-
CID 3058191
[5-hydroxy-5-(pyridin-4-yl)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](pyridin-3-yl)methanone
CID 3107167
[5-hydroxy-5-(pyridin-3-yl)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](pyridin-3-yl)methanone
CID 3107181
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 51094272
6-[2-(3,4-Difluorophenyl)-2-hydroxyethyl]pyrido[2,3-d]pyridazin-5-one
CID 56795006
6-[2-(3-Chlorophenyl)-2-hydroxyethyl]pyrido[2,3-d]pyridazin-5-one
CID 71991609
6-[2-(4-Bromophenyl)-2-hydroxyethyl]pyrido[2,3-d]pyridazin-5-one
CID 72003008
6-[2-Hydroxy-2-(3-methoxyphenyl)ethyl]pyrido[2,3-d]pyridazin-5-one
CID 72003011

Frequently Asked Questions

What is the IUPAC name of 6-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyridazin-5-one?
The IUPAC name of 6-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyridazin-5-one (CID 111448453) is 6-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyridazin-5-one.
What is the SMILES notation for 6-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyridazin-5-one?
The canonical SMILES for 6-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyridazin-5-one is O=c1c2cccnc2cnn1CC(O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 6-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyridazin-5-one?
The InChIKey is FKESAHDTOFXVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2/c17-16(18,19)11-5-3-10(4-6-11)14(23)9-22-15(24)12-2-1-7-20-13(12)8-21-22/h1-8,14,23H,9H2.
What are the key properties of 6-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyridazin-5-one?
6-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyridazin-5-one has a molecular weight of 335.29 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyridazin-5-one is sourced from PubChem (CID 111448453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).