4-chloro-5-methoxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one

C7H6ClF3N2O2 — CID 131843349

IUPAC4-chloro-5-methoxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one
SMILESCOc1cnn(CC(F)(F)F)c(=O)c1Cl
InChIInChI=1S/C7H6ClF3N2O2/c1-15-4-2-12-13(3-7(9,10)11)6(14)5(4)8/h2H,3H2,1H3
InChIKeyYZFBIMBRGPHNAP-UHFFFAOYSA-N
MW242.58 g/mol
LogP1.47
Rot. Bonds2

About 4-chloro-5-methoxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one

4-chloro-5-methoxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one (PubChem CID 131843349) has the molecular formula C7H6ClF3N2O2 and a molecular weight of 242.58 g/mol. Its IUPAC name is 4-chloro-5-methoxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-methoxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one
PubChem CID131843349
Molecular FormulaC7H6ClF3N2O2
Molecular Weight242.58 g/mol
Exact Mass242.01
IUPAC Name4-chloro-5-methoxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one
SMILESCOc1cnn(CC(F)(F)F)c(=O)c1Cl
InChIInChI=1S/C7H6ClF3N2O2/c1-15-4-2-12-13(3-7(9,10)11)6(14)5(4)8/h2H,3H2,1H3
InChIKeyYZFBIMBRGPHNAP-UHFFFAOYSA-N
XLogP1.47
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.58
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Chloro-5-methoxy-2-methyl-2,3-dihydropyridazin-3-one
CID 2774938
4-chloro-5-methoxy-2-propyl-3(2H)-pyridazinone
CID 2223565
4-chloro-5-ethoxy-2-methyl-2H-pyridazin-3-one
CID 1488767
4-Chloro-5-hydroxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 54720290
4-chloro-5-methoxy-2-methoxymethyl-2H-pyridazin-3-one
CID 10584352
4,5-Dichloro-2-(2,2-difluoroethyl)pyridazin-3-one
CID 115616647
4-Chloro-2-[3-[ethyl(2,2,2-trifluoroethyl)amino]propyl]-5-methoxypyridazin-3-one
CID 154783239
4-Chloro-2-isopropyl-5-methoxy-2H-pyridazin-3-one
CID 10845807
4-chloro-2-ethyl-5-methoxypyridazin-3(2H)-one
CID 10655246
4-Chloro-5-ethoxy-2-ethylpyridazin-3(2H)-one
CID 16046694
4-Chloro-2-ethyl-5-hydroxypyridazin-3(2H)-one
CID 54680771
2-Butyl-4-chloro-5-methoxypyridazin-3-one
CID 12758396

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methoxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-methoxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one (CID 131843349) is 4-chloro-5-methoxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-methoxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-methoxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one is COc1cnn(CC(F)(F)F)c(=O)c1Cl.
What is the InChIKey of 4-chloro-5-methoxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The InChIKey is YZFBIMBRGPHNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3N2O2/c1-15-4-2-12-13(3-7(9,10)11)6(14)5(4)8/h2H,3H2,1H3.
What are the key properties of 4-chloro-5-methoxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
4-chloro-5-methoxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one has a molecular weight of 242.58 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methoxy-2-(2,2,2-trifluoroethyl)pyridazin-3-one is sourced from PubChem (CID 131843349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).