6-[2-(3,4-difluorophenyl)-2-hydroxyethyl]pyrido[2,3-d]pyridazin-5-one

C15H11F2N3O2 — CID 56795006

IUPAC6-[2-(3,4-difluorophenyl)-2-hydroxyethyl]pyrido[2,3-d]pyridazin-5-one
SMILESO=c1c2cccnc2cnn1CC(O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H11F2N3O2/c16-11-4-3-9(6-12(11)17)14(21)8-20-15(22)10-2-1-5-18-13(10)7-19-20/h1-7,14,21H,8H2
InChIKeyCZKFKMOFCPVZDK-UHFFFAOYSA-N
MW303.27 g/mol
LogP1.80
Rot. Bonds3

About 6-[2-(3,4-difluorophenyl)-2-hydroxyethyl]pyrido[2,3-d]pyridazin-5-one

6-[2-(3,4-difluorophenyl)-2-hydroxyethyl]pyrido[2,3-d]pyridazin-5-one (PubChem CID 56795006) has the molecular formula C15H11F2N3O2 and a molecular weight of 303.27 g/mol. Its IUPAC name is 6-[2-(3,4-difluorophenyl)-2-hydroxyethyl]pyrido[2,3-d]pyridazin-5-one.

Molecular Properties

Compound Name6-[2-(3,4-difluorophenyl)-2-hydroxyethyl]pyrido[2,3-d]pyridazin-5-one
PubChem CID56795006
Molecular FormulaC15H11F2N3O2
Molecular Weight303.27 g/mol
Exact Mass303.08
IUPAC Name6-[2-(3,4-difluorophenyl)-2-hydroxyethyl]pyrido[2,3-d]pyridazin-5-one
SMILESO=c1c2cccnc2cnn1CC(O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H11F2N3O2/c16-11-4-3-9(6-12(11)17)14(21)8-20-15(22)10-2-1-5-18-13(10)7-19-20/h1-7,14,21H,8H2
InChIKeyCZKFKMOFCPVZDK-UHFFFAOYSA-N
XLogP1.80
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3,4-difluorophenyl)-2-hydroxyethyl]pyrido[2,3-d]pyridazin-5-one?
The IUPAC name of 6-[2-(3,4-difluorophenyl)-2-hydroxyethyl]pyrido[2,3-d]pyridazin-5-one (CID 56795006) is 6-[2-(3,4-difluorophenyl)-2-hydroxyethyl]pyrido[2,3-d]pyridazin-5-one.
What is the SMILES notation for 6-[2-(3,4-difluorophenyl)-2-hydroxyethyl]pyrido[2,3-d]pyridazin-5-one?
The canonical SMILES for 6-[2-(3,4-difluorophenyl)-2-hydroxyethyl]pyrido[2,3-d]pyridazin-5-one is O=c1c2cccnc2cnn1CC(O)c1ccc(F)c(F)c1.
What is the InChIKey of 6-[2-(3,4-difluorophenyl)-2-hydroxyethyl]pyrido[2,3-d]pyridazin-5-one?
The InChIKey is CZKFKMOFCPVZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O2/c16-11-4-3-9(6-12(11)17)14(21)8-20-15(22)10-2-1-5-18-13(10)7-19-20/h1-7,14,21H,8H2.
What are the key properties of 6-[2-(3,4-difluorophenyl)-2-hydroxyethyl]pyrido[2,3-d]pyridazin-5-one?
6-[2-(3,4-difluorophenyl)-2-hydroxyethyl]pyrido[2,3-d]pyridazin-5-one has a molecular weight of 303.27 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3,4-difluorophenyl)-2-hydroxyethyl]pyrido[2,3-d]pyridazin-5-one is sourced from PubChem (CID 56795006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).