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

C18H15FN2O2 — CID 7660040

IUPAC2-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(Cc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C18H15FN2O2/c1-23-16-8-4-14(5-9-16)17-10-11-18(22)21(20-17)12-13-2-6-15(19)7-3-13/h2-11H,12H2,1H3
InChIKeyPJMRBUYKMBXNKX-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.11
Rot. Bonds4

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

2-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one (PubChem CID 7660040) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one
PubChem CID7660040
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Name2-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(Cc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C18H15FN2O2/c1-23-16-8-4-14(5-9-16)17-10-11-18(22)21(20-17)12-13-2-6-15(19)7-3-13/h2-11H,12H2,1H3
InChIKeyPJMRBUYKMBXNKX-UHFFFAOYSA-N
XLogP3.11
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Benzyl-6-(3,4-dimethoxyphenyl)-4,5-dihydropyridazin-3-one
CID 10980260
2-Benzyl-6-(4-methoxyphenyl)pyridazin-3-one
CID 6472426
N-formyl-5-(-4'-methoxyphenyl)-3-phenylpyrazoline (1g)
CID 12671426
N-formyl-5-(-2'-methoxyphenyl)-3-phenylpyrazoline (1e)
CID 84973176
[5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl](phenyl)methanone
CID 6737699
6-(3,4-Dimethoxyphenyl)-2-(5-phenylpentyl)pyridazin-3-one
CID 11153159
[4-[2-Acetyl-5-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]phenyl] sulfamate
CID 155547275
2-allyl-6-(4-methoxystyryl)-4,5-dihydro-3(2H)-pyridazinone
CID 1475385
4-[3-(2-Fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 3132754
2-(3-chlorobenzyl)-6-(4-methoxyphenyl)pyridazin-3(2H)-one
CID 4051072
1-[(3R,3aR)-3-(4-fluorophenyl)-8-methoxy-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]ethanone
CID 747805
3(2H)-Pyridazinone, 2-ethyl-5,6-bis(4-methoxyphenyl)-
CID 9902312

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one (CID 7660040) is 2-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one is COc1ccc(-c2ccc(=O)n(Cc3ccc(F)cc3)n2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one?
The InChIKey is PJMRBUYKMBXNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c1-23-16-8-4-14(5-9-16)17-10-11-18(22)21(20-17)12-13-2-6-15(19)7-3-13/h2-11H,12H2,1H3.
What are the key properties of 2-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one?
2-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one has a molecular weight of 310.33 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 7660040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).