5-(3-chloro-5-methoxy-2-pyridinyl)-4-(4-chlorophenyl)-3-methyl-1H-pyridazin-6-one

C17H13Cl2N3O2 — CID 57447452

IUPAC5-(3-chloro-5-methoxy-2-pyridinyl)-4-(4-chlorophenyl)-3-methyl-1H-pyridazin-6-one
SMILESCOc1cnc(-c2c(-c3ccc(Cl)cc3)c(C)n[nH]c2=O)c(Cl)c1
InChIInChI=1S/C17H13Cl2N3O2/c1-9-14(10-3-5-11(18)6-4-10)15(17(23)22-21-9)16-13(19)7-12(24-2)8-20-16/h3-8H,1-2H3,(H,22,23)
InChIKeyFPFUXVDEEJEWMQ-UHFFFAOYSA-N
MW362.22 g/mol
LogP4.12
Rot. Bonds3

About 5-(3-chloro-5-methoxy-2-pyridinyl)-4-(4-chlorophenyl)-3-methyl-1H-pyridazin-6-one

5-(3-chloro-5-methoxy-2-pyridinyl)-4-(4-chlorophenyl)-3-methyl-1H-pyridazin-6-one (PubChem CID 57447452) has the molecular formula C17H13Cl2N3O2 and a molecular weight of 362.22 g/mol. Its IUPAC name is 5-(3-chloro-5-methoxy-2-pyridinyl)-4-(4-chlorophenyl)-3-methyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(3-chloro-5-methoxy-2-pyridinyl)-4-(4-chlorophenyl)-3-methyl-1H-pyridazin-6-one
PubChem CID57447452
Molecular FormulaC17H13Cl2N3O2
Molecular Weight362.22 g/mol
Exact Mass361.04
IUPAC Name5-(3-chloro-5-methoxy-2-pyridinyl)-4-(4-chlorophenyl)-3-methyl-1H-pyridazin-6-one
SMILESCOc1cnc(-c2c(-c3ccc(Cl)cc3)c(C)n[nH]c2=O)c(Cl)c1
InChIInChI=1S/C17H13Cl2N3O2/c1-9-14(10-3-5-11(18)6-4-10)15(17(23)22-21-9)16-13(19)7-12(24-2)8-20-16/h3-8H,1-2H3,(H,22,23)
InChIKeyFPFUXVDEEJEWMQ-UHFFFAOYSA-N
XLogP4.12
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-5-methoxy-2-pyridinyl)-4-(4-chlorophenyl)-3-methyl-1H-pyridazin-6-one?
The IUPAC name of 5-(3-chloro-5-methoxy-2-pyridinyl)-4-(4-chlorophenyl)-3-methyl-1H-pyridazin-6-one (CID 57447452) is 5-(3-chloro-5-methoxy-2-pyridinyl)-4-(4-chlorophenyl)-3-methyl-1H-pyridazin-6-one.
What is the SMILES notation for 5-(3-chloro-5-methoxy-2-pyridinyl)-4-(4-chlorophenyl)-3-methyl-1H-pyridazin-6-one?
The canonical SMILES for 5-(3-chloro-5-methoxy-2-pyridinyl)-4-(4-chlorophenyl)-3-methyl-1H-pyridazin-6-one is COc1cnc(-c2c(-c3ccc(Cl)cc3)c(C)n[nH]c2=O)c(Cl)c1.
What is the InChIKey of 5-(3-chloro-5-methoxy-2-pyridinyl)-4-(4-chlorophenyl)-3-methyl-1H-pyridazin-6-one?
The InChIKey is FPFUXVDEEJEWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O2/c1-9-14(10-3-5-11(18)6-4-10)15(17(23)22-21-9)16-13(19)7-12(24-2)8-20-16/h3-8H,1-2H3,(H,22,23).
What are the key properties of 5-(3-chloro-5-methoxy-2-pyridinyl)-4-(4-chlorophenyl)-3-methyl-1H-pyridazin-6-one?
5-(3-chloro-5-methoxy-2-pyridinyl)-4-(4-chlorophenyl)-3-methyl-1H-pyridazin-6-one has a molecular weight of 362.22 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-5-methoxy-2-pyridinyl)-4-(4-chlorophenyl)-3-methyl-1H-pyridazin-6-one is sourced from PubChem (CID 57447452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).