5-chloro-2-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxypyridazin-3-one

C12H7Cl2F3N2O2 — CID 755048

IUPAC5-chloro-2-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxypyridazin-3-one
SMILESCOc1c(Cl)cnn(-c2ccc(Cl)c(C(F)(F)F)c2)c1=O
InChIInChI=1S/C12H7Cl2F3N2O2/c1-21-10-9(14)5-18-19(11(10)20)6-2-3-8(13)7(4-6)12(15,16)17/h2-5H,1H3
InChIKeyVOFCXMHNUNIDQE-UHFFFAOYSA-N
MW339.10 g/mol
LogP3.57
Rot. Bonds2

About 5-chloro-2-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxypyridazin-3-one

5-chloro-2-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxypyridazin-3-one (PubChem CID 755048) has the molecular formula C12H7Cl2F3N2O2 and a molecular weight of 339.10 g/mol. Its IUPAC name is 5-chloro-2-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxypyridazin-3-one.

Molecular Properties

Compound Name5-chloro-2-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxypyridazin-3-one
PubChem CID755048
Molecular FormulaC12H7Cl2F3N2O2
Molecular Weight339.10 g/mol
Exact Mass337.98
IUPAC Name5-chloro-2-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxypyridazin-3-one
SMILESCOc1c(Cl)cnn(-c2ccc(Cl)c(C(F)(F)F)c2)c1=O
InChIInChI=1S/C12H7Cl2F3N2O2/c1-21-10-9(14)5-18-19(11(10)20)6-2-3-8(13)7(4-6)12(15,16)17/h2-5H,1H3
InChIKeyVOFCXMHNUNIDQE-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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxypyridazin-3-one?
The IUPAC name of 5-chloro-2-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxypyridazin-3-one (CID 755048) is 5-chloro-2-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxypyridazin-3-one.
What is the SMILES notation for 5-chloro-2-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxypyridazin-3-one?
The canonical SMILES for 5-chloro-2-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxypyridazin-3-one is COc1c(Cl)cnn(-c2ccc(Cl)c(C(F)(F)F)c2)c1=O.
What is the InChIKey of 5-chloro-2-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxypyridazin-3-one?
The InChIKey is VOFCXMHNUNIDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2F3N2O2/c1-21-10-9(14)5-18-19(11(10)20)6-2-3-8(13)7(4-6)12(15,16)17/h2-5H,1H3.
What are the key properties of 5-chloro-2-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxypyridazin-3-one?
5-chloro-2-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxypyridazin-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 5-chloro-2-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxypyridazin-3-one is sourced from PubChem (CID 755048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).