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

C15H12ClN3O2 — CID 71991609

IUPAC6-[2-(3-chlorophenyl)-2-hydroxyethyl]pyrido[2,3-d]pyridazin-5-one
SMILESO=c1c2cccnc2cnn1CC(O)c1cccc(Cl)c1
InChIInChI=1S/C15H12ClN3O2/c16-11-4-1-3-10(7-11)14(20)9-19-15(21)12-5-2-6-17-13(12)8-18-19/h1-8,14,20H,9H2
InChIKeyCNRIVLUZKKVKMP-UHFFFAOYSA-N
MW301.73 g/mol
LogP2.18
Rot. Bonds3

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

6-[2-(3-chlorophenyl)-2-hydroxyethyl]pyrido[2,3-d]pyridazin-5-one (PubChem CID 71991609) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 6-[2-(3-chlorophenyl)-2-hydroxyethyl]pyrido[2,3-d]pyridazin-5-one.

Molecular Properties

Compound Name6-[2-(3-chlorophenyl)-2-hydroxyethyl]pyrido[2,3-d]pyridazin-5-one
PubChem CID71991609
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name6-[2-(3-chlorophenyl)-2-hydroxyethyl]pyrido[2,3-d]pyridazin-5-one
SMILESO=c1c2cccnc2cnn1CC(O)c1cccc(Cl)c1
InChIInChI=1S/C15H12ClN3O2/c16-11-4-1-3-10(7-11)14(20)9-19-15(21)12-5-2-6-17-13(12)8-18-19/h1-8,14,20H,9H2
InChIKeyCNRIVLUZKKVKMP-UHFFFAOYSA-N
XLogP2.18
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-chlorophenyl)-2-hydroxyethyl]pyrido[2,3-d]pyridazin-5-one?
The IUPAC name of 6-[2-(3-chlorophenyl)-2-hydroxyethyl]pyrido[2,3-d]pyridazin-5-one (CID 71991609) is 6-[2-(3-chlorophenyl)-2-hydroxyethyl]pyrido[2,3-d]pyridazin-5-one.
What is the SMILES notation for 6-[2-(3-chlorophenyl)-2-hydroxyethyl]pyrido[2,3-d]pyridazin-5-one?
The canonical SMILES for 6-[2-(3-chlorophenyl)-2-hydroxyethyl]pyrido[2,3-d]pyridazin-5-one is O=c1c2cccnc2cnn1CC(O)c1cccc(Cl)c1.
What is the InChIKey of 6-[2-(3-chlorophenyl)-2-hydroxyethyl]pyrido[2,3-d]pyridazin-5-one?
The InChIKey is CNRIVLUZKKVKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c16-11-4-1-3-10(7-11)14(20)9-19-15(21)12-5-2-6-17-13(12)8-18-19/h1-8,14,20H,9H2.
What are the key properties of 6-[2-(3-chlorophenyl)-2-hydroxyethyl]pyrido[2,3-d]pyridazin-5-one?
6-[2-(3-chlorophenyl)-2-hydroxyethyl]pyrido[2,3-d]pyridazin-5-one has a molecular weight of 301.73 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-chlorophenyl)-2-hydroxyethyl]pyrido[2,3-d]pyridazin-5-one is sourced from PubChem (CID 71991609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).