2-[(2-chloro-6-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one

C18H14ClFN2O2 — CID 4051075

IUPAC2-[(2-chloro-6-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(Cc3c(F)cccc3Cl)n2)cc1
InChIInChI=1S/C18H14ClFN2O2/c1-24-13-7-5-12(6-8-13)17-9-10-18(23)22(21-17)11-14-15(19)3-2-4-16(14)20/h2-10H,11H2,1H3
InChIKeyUCSMNYUVUXWFEY-UHFFFAOYSA-N
MW344.77 g/mol
LogP3.76
Rot. Bonds4

About 2-[(2-chloro-6-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one

2-[(2-chloro-6-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one (PubChem CID 4051075) has the molecular formula C18H14ClFN2O2 and a molecular weight of 344.77 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one
PubChem CID4051075
Molecular FormulaC18H14ClFN2O2
Molecular Weight344.77 g/mol
Exact Mass344.07
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(Cc3c(F)cccc3Cl)n2)cc1
InChIInChI=1S/C18H14ClFN2O2/c1-24-13-7-5-12(6-8-13)17-9-10-18(23)22(21-17)11-14-15(19)3-2-4-16(14)20/h2-10H,11H2,1H3
InChIKeyUCSMNYUVUXWFEY-UHFFFAOYSA-N
XLogP3.76
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.77
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Benzyl-6-(4-methoxyphenyl)pyridazin-3-one
CID 6472426
2-(3-chlorobenzyl)-6-(4-methoxyphenyl)pyridazin-3(2H)-one
CID 4051072
2-[(E)-3-(4-chlorophenyl)prop-2-enyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one
CID 9846993
2-[(4-Chlorophenyl)methyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one
CID 18369317
2-Benzyl-5,6-bis(4-methoxyphenyl)pyridazin-3-one
CID 18369323
2-[(E)-3-(2,4-dichlorophenyl)prop-2-enyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one
CID 18369344
2-[(3,4-Difluorophenyl)methyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one
CID 18369356
2-[(3,4-Dichlorophenyl)methyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one
CID 18369406
2-[(4-Fluorophenyl)methyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one
CID 18369431
2-[(2,4-Difluorophenyl)methyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one
CID 18369449
1-[3-(4-Chloro-phenyl)-5-(4-methoxy-phenyl)-4,5-dihydro-pyrazol-1-yl]-ethanone
CID 4298702
3-(4-chlorophenyl)-5-(4-methoxyphenyl)-1-propionyl-4,5-dihydro-1H-pyrazole
CID 4115381

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one (CID 4051075) is 2-[(2-chloro-6-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one is COc1ccc(-c2ccc(=O)n(Cc3c(F)cccc3Cl)n2)cc1.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one?
The InChIKey is UCSMNYUVUXWFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O2/c1-24-13-7-5-12(6-8-13)17-9-10-18(23)22(21-17)11-14-15(19)3-2-4-16(14)20/h2-10H,11H2,1H3.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one?
2-[(2-chloro-6-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one has a molecular weight of 344.77 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 4051075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).