3-(3-chloro-2-fluoro-4-methoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one

C12H12ClFN2O2 — CID 137377989

IUPAC3-(3-chloro-2-fluoro-4-methoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCOc1ccc(C2=NNC(=O)CC2C)c(F)c1Cl
InChIInChI=1S/C12H12ClFN2O2/c1-6-5-9(17)15-16-12(6)7-3-4-8(18-2)10(13)11(7)14/h3-4,6H,5H2,1-2H3,(H,15,17)
InChIKeyXBQCBRGDNZZTCF-UHFFFAOYSA-N
MW270.69 g/mol
LogP2.35
Rot. Bonds2

About 3-(3-chloro-2-fluoro-4-methoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one

3-(3-chloro-2-fluoro-4-methoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 137377989) has the molecular formula C12H12ClFN2O2 and a molecular weight of 270.69 g/mol. Its IUPAC name is 3-(3-chloro-2-fluoro-4-methoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(3-chloro-2-fluoro-4-methoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
PubChem CID137377989
Molecular FormulaC12H12ClFN2O2
Molecular Weight270.69 g/mol
Exact Mass270.06
IUPAC Name3-(3-chloro-2-fluoro-4-methoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCOc1ccc(C2=NNC(=O)CC2C)c(F)c1Cl
InChIInChI=1S/C12H12ClFN2O2/c1-6-5-9(17)15-16-12(6)7-3-4-8(18-2)10(13)11(7)14/h3-4,6H,5H2,1-2H3,(H,15,17)
InChIKeyXBQCBRGDNZZTCF-UHFFFAOYSA-N
XLogP2.35
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.69
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-fluoro-4-methoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-(3-chloro-2-fluoro-4-methoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one (CID 137377989) is 3-(3-chloro-2-fluoro-4-methoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-(3-chloro-2-fluoro-4-methoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-(3-chloro-2-fluoro-4-methoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one is COc1ccc(C2=NNC(=O)CC2C)c(F)c1Cl.
What is the InChIKey of 3-(3-chloro-2-fluoro-4-methoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is XBQCBRGDNZZTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O2/c1-6-5-9(17)15-16-12(6)7-3-4-8(18-2)10(13)11(7)14/h3-4,6H,5H2,1-2H3,(H,15,17).
What are the key properties of 3-(3-chloro-2-fluoro-4-methoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
3-(3-chloro-2-fluoro-4-methoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 270.69 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-fluoro-4-methoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 137377989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).