4-chloro-2-(2,4-difluorophenyl)-5-[(3R)-3-hydroxypiperidin-1-yl]pyridazin-3-one

C15H14ClF2N3O2 — CID 94174563

IUPAC4-chloro-2-(2,4-difluorophenyl)-5-[(3R)-3-hydroxypiperidin-1-yl]pyridazin-3-one
SMILESO=c1c(Cl)c(N2CCC[C@@H](O)C2)cnn1-c1ccc(F)cc1F
InChIInChI=1S/C15H14ClF2N3O2/c16-14-13(20-5-1-2-10(22)8-20)7-19-21(15(14)23)12-4-3-9(17)6-11(12)18/h3-4,6-7,10,22H,1-2,5,8H2/t10-/m1/s1
InChIKeyUVMWUYFTUMHWQF-SNVBAGLBSA-N
MW341.75 g/mol
LogP2.13
Rot. Bonds2

About 4-chloro-2-(2,4-difluorophenyl)-5-[(3R)-3-hydroxypiperidin-1-yl]pyridazin-3-one

4-chloro-2-(2,4-difluorophenyl)-5-[(3R)-3-hydroxypiperidin-1-yl]pyridazin-3-one (PubChem CID 94174563) has the molecular formula C15H14ClF2N3O2 and a molecular weight of 341.75 g/mol. Its IUPAC name is 4-chloro-2-(2,4-difluorophenyl)-5-[(3R)-3-hydroxypiperidin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(2,4-difluorophenyl)-5-[(3R)-3-hydroxypiperidin-1-yl]pyridazin-3-one
PubChem CID94174563
Molecular FormulaC15H14ClF2N3O2
Molecular Weight341.75 g/mol
Exact Mass341.07
IUPAC Name4-chloro-2-(2,4-difluorophenyl)-5-[(3R)-3-hydroxypiperidin-1-yl]pyridazin-3-one
SMILESO=c1c(Cl)c(N2CCC[C@@H](O)C2)cnn1-c1ccc(F)cc1F
InChIInChI=1S/C15H14ClF2N3O2/c16-14-13(20-5-1-2-10(22)8-20)7-19-21(15(14)23)12-4-3-9(17)6-11(12)18/h3-4,6-7,10,22H,1-2,5,8H2/t10-/m1/s1
InChIKeyUVMWUYFTUMHWQF-SNVBAGLBSA-N
XLogP2.13
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.75
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,4-difluorophenyl)-5-[(3R)-3-hydroxypiperidin-1-yl]pyridazin-3-one?
The IUPAC name of 4-chloro-2-(2,4-difluorophenyl)-5-[(3R)-3-hydroxypiperidin-1-yl]pyridazin-3-one (CID 94174563) is 4-chloro-2-(2,4-difluorophenyl)-5-[(3R)-3-hydroxypiperidin-1-yl]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(2,4-difluorophenyl)-5-[(3R)-3-hydroxypiperidin-1-yl]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(2,4-difluorophenyl)-5-[(3R)-3-hydroxypiperidin-1-yl]pyridazin-3-one is O=c1c(Cl)c(N2CCC[C@@H](O)C2)cnn1-c1ccc(F)cc1F.
What is the InChIKey of 4-chloro-2-(2,4-difluorophenyl)-5-[(3R)-3-hydroxypiperidin-1-yl]pyridazin-3-one?
The InChIKey is UVMWUYFTUMHWQF-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14ClF2N3O2/c16-14-13(20-5-1-2-10(22)8-20)7-19-21(15(14)23)12-4-3-9(17)6-11(12)18/h3-4,6-7,10,22H,1-2,5,8H2/t10-/m1/s1.
What are the key properties of 4-chloro-2-(2,4-difluorophenyl)-5-[(3R)-3-hydroxypiperidin-1-yl]pyridazin-3-one?
4-chloro-2-(2,4-difluorophenyl)-5-[(3R)-3-hydroxypiperidin-1-yl]pyridazin-3-one has a molecular weight of 341.75 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,4-difluorophenyl)-5-[(3R)-3-hydroxypiperidin-1-yl]pyridazin-3-one is sourced from PubChem (CID 94174563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).