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

C19H16ClFN2O3 — CID 7660027

IUPAC2-[(2-chloro-6-fluorophenyl)methyl]-6-(3,4-dimethoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(Cc3c(F)cccc3Cl)n2)cc1OC
InChIInChI=1S/C19H16ClFN2O3/c1-25-17-8-6-12(10-18(17)26-2)16-7-9-19(24)23(22-16)11-13-14(20)4-3-5-15(13)21/h3-10H,11H2,1-2H3
InChIKeyNTZLZKXWYJPOAD-UHFFFAOYSA-N
MW374.80 g/mol
LogP3.77
Rot. Bonds5

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

2-[(2-chloro-6-fluorophenyl)methyl]-6-(3,4-dimethoxyphenyl)pyridazin-3-one (PubChem CID 7660027) has the molecular formula C19H16ClFN2O3 and a molecular weight of 374.80 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl]-6-(3,4-dimethoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl]-6-(3,4-dimethoxyphenyl)pyridazin-3-one
PubChem CID7660027
Molecular FormulaC19H16ClFN2O3
Molecular Weight374.80 g/mol
Exact Mass374.08
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl]-6-(3,4-dimethoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(Cc3c(F)cccc3Cl)n2)cc1OC
InChIInChI=1S/C19H16ClFN2O3/c1-25-17-8-6-12(10-18(17)26-2)16-7-9-19(24)23(22-16)11-13-14(20)4-3-5-15(13)21/h3-10H,11H2,1-2H3
InChIKeyNTZLZKXWYJPOAD-UHFFFAOYSA-N
XLogP3.77
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.80
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-6-(3,4-dimethoxyphenyl)pyridazin-3-one?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-6-(3,4-dimethoxyphenyl)pyridazin-3-one (CID 7660027) is 2-[(2-chloro-6-fluorophenyl)methyl]-6-(3,4-dimethoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl]-6-(3,4-dimethoxyphenyl)pyridazin-3-one?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl]-6-(3,4-dimethoxyphenyl)pyridazin-3-one is COc1ccc(-c2ccc(=O)n(Cc3c(F)cccc3Cl)n2)cc1OC.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl]-6-(3,4-dimethoxyphenyl)pyridazin-3-one?
The InChIKey is NTZLZKXWYJPOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O3/c1-25-17-8-6-12(10-18(17)26-2)16-7-9-19(24)23(22-16)11-13-14(20)4-3-5-15(13)21/h3-10H,11H2,1-2H3.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl]-6-(3,4-dimethoxyphenyl)pyridazin-3-one?
2-[(2-chloro-6-fluorophenyl)methyl]-6-(3,4-dimethoxyphenyl)pyridazin-3-one has a molecular weight of 374.80 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methyl]-6-(3,4-dimethoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 7660027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).