2-(2,4-dichloro-5-methoxyphenyl)-5-(trifluoromethyl)pyridazin-3-one

C12H7Cl2F3N2O2 — CID 18345652

IUPAC2-(2,4-dichloro-5-methoxyphenyl)-5-(trifluoromethyl)pyridazin-3-one
SMILESCOc1cc(-n2ncc(C(F)(F)F)cc2=O)c(Cl)cc1Cl
InChIInChI=1S/C12H7Cl2F3N2O2/c1-21-10-4-9(7(13)3-8(10)14)19-11(20)2-6(5-18-19)12(15,16)17/h2-5H,1H3
InChIKeySFRPMHQLCDBTQZ-UHFFFAOYSA-N
MW339.10 g/mol
LogP3.57
Rot. Bonds2

About 2-(2,4-dichloro-5-methoxyphenyl)-5-(trifluoromethyl)pyridazin-3-one

2-(2,4-dichloro-5-methoxyphenyl)-5-(trifluoromethyl)pyridazin-3-one (PubChem CID 18345652) has the molecular formula C12H7Cl2F3N2O2 and a molecular weight of 339.10 g/mol. Its IUPAC name is 2-(2,4-dichloro-5-methoxyphenyl)-5-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(2,4-dichloro-5-methoxyphenyl)-5-(trifluoromethyl)pyridazin-3-one
PubChem CID18345652
Molecular FormulaC12H7Cl2F3N2O2
Molecular Weight339.10 g/mol
Exact Mass337.98
IUPAC Name2-(2,4-dichloro-5-methoxyphenyl)-5-(trifluoromethyl)pyridazin-3-one
SMILESCOc1cc(-n2ncc(C(F)(F)F)cc2=O)c(Cl)cc1Cl
InChIInChI=1S/C12H7Cl2F3N2O2/c1-21-10-4-9(7(13)3-8(10)14)19-11(20)2-6(5-18-19)12(15,16)17/h2-5H,1H3
InChIKeySFRPMHQLCDBTQZ-UHFFFAOYSA-N
XLogP3.57
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.10
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-chloro-2-fluoro-5-(2-hydroxyphenoxy)phenyl]-5-(trifluoromethyl)pyridazin-3-one
CID 139895632
methyl 2-chloro-4-fluoro-5-[6-oxo-4-(trifluoromethyl)pyridazin-1-yl]benzoate
CID 176895337
2-[4-chloro-2-fluoro-5-[(3-nitro-2-pyridinyl)oxy]phenyl]-5-(trifluoromethyl)pyridazin-3-one
CID 18364638
1-(2,4-dichloro-5-methoxyphenyl)-4-(2-fluoroethyl)tetrazol-5-one
CID 14774813
N-[3,5-bis(trifluoromethyl)phenyl]-1-(2,4-dichloro-5-methoxyphenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 3850944
1-(2,4-dichloro-5-methoxyphenyl)-4-propyltetrazol-5-one
CID 3437914
1-(2,4-dichloro-5-methoxyphenyl)-4-prop-2-enyltetrazol-5-one
CID 14774807
ethyl 2-[2-chloro-4-fluoro-5-[6-oxo-4-(trifluoromethyl)pyridazin-1-yl]phenyl]sulfanylpropanoate
CID 22508469
1-[bromo(difluoro)methyl]-5-chloro-4-methoxypyridin-2-one
CID 178139435
1-(2,4-dichloro-5-methoxyphenyl)pyrrole
CID 3520882
N-(5-chloro-2,4-dimethoxyphenyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 24594336
3-chloro-2-methoxy-5-(trifluoromethyl)pyridine;molecular hydrogen
CID 161307255

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloro-5-methoxyphenyl)-5-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 2-(2,4-dichloro-5-methoxyphenyl)-5-(trifluoromethyl)pyridazin-3-one (CID 18345652) is 2-(2,4-dichloro-5-methoxyphenyl)-5-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 2-(2,4-dichloro-5-methoxyphenyl)-5-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 2-(2,4-dichloro-5-methoxyphenyl)-5-(trifluoromethyl)pyridazin-3-one is COc1cc(-n2ncc(C(F)(F)F)cc2=O)c(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichloro-5-methoxyphenyl)-5-(trifluoromethyl)pyridazin-3-one?
The InChIKey is SFRPMHQLCDBTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2F3N2O2/c1-21-10-4-9(7(13)3-8(10)14)19-11(20)2-6(5-18-19)12(15,16)17/h2-5H,1H3.
What are the key properties of 2-(2,4-dichloro-5-methoxyphenyl)-5-(trifluoromethyl)pyridazin-3-one?
2-(2,4-dichloro-5-methoxyphenyl)-5-(trifluoromethyl)pyridazin-3-one has a molecular weight of 339.10 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloro-5-methoxyphenyl)-5-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 18345652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).