3-chloro-6-[4-(trifluoromethoxy)phenyl]pyridazine

C11H6ClF3N2O — CID 43583892

IUPAC3-chloro-6-[4-(trifluoromethoxy)phenyl]pyridazine
SMILESFC(F)(F)Oc1ccc(-c2ccc(Cl)nn2)cc1
InChIInChI=1S/C11H6ClF3N2O/c12-10-6-5-9(16-17-10)7-1-3-8(4-2-7)18-11(13,14)15/h1-6H
InChIKeyRMKYXBSRKGXPQW-UHFFFAOYSA-N
MW274.63 g/mol
LogP3.70
Rot. Bonds2

About 3-chloro-6-[4-(trifluoromethoxy)phenyl]pyridazine

3-chloro-6-[4-(trifluoromethoxy)phenyl]pyridazine (PubChem CID 43583892) has the molecular formula C11H6ClF3N2O and a molecular weight of 274.63 g/mol. Its IUPAC name is 3-chloro-6-[4-(trifluoromethoxy)phenyl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[4-(trifluoromethoxy)phenyl]pyridazine
PubChem CID43583892
Molecular FormulaC11H6ClF3N2O
Molecular Weight274.63 g/mol
Exact Mass274.01
IUPAC Name3-chloro-6-[4-(trifluoromethoxy)phenyl]pyridazine
SMILESFC(F)(F)Oc1ccc(-c2ccc(Cl)nn2)cc1
InChIInChI=1S/C11H6ClF3N2O/c12-10-6-5-9(16-17-10)7-1-3-8(4-2-7)18-11(13,14)15/h1-6H
InChIKeyRMKYXBSRKGXPQW-UHFFFAOYSA-N
XLogP3.70
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.63
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-[4-(trifluoromethoxy)phenyl]pyrimidine;ethane
CID 143849483
(2S)-3-[4-(6-chloropyridazin-3-yl)phenoxy]-2-methylpropan-1-ol
CID 58034225
3-chloro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridazine
CID 107290372
2-(2,6-dichloro-4-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole
CID 2781881
4-iodo-2-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine
CID 118799175
2,6-bis[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)pyridine
CID 134618302
3-chloro-6-[2-deuterio-4-(trifluoromethoxy)phenyl]-4-methylpyridazine
CID 175904375
3-[4-(bromomethyl)phenyl]-6-chloropyridazine
CID 139833928
2-[4-(trifluoromethoxy)phenyl]pyrazine
CID 91219772
4-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
CID 4149421
6-chloro-2-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
CID 134630822
2-chloro-5-methoxy-4-[4-(trifluoromethoxy)phenyl]pyridine
CID 119023507

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[4-(trifluoromethoxy)phenyl]pyridazine?
The IUPAC name of 3-chloro-6-[4-(trifluoromethoxy)phenyl]pyridazine (CID 43583892) is 3-chloro-6-[4-(trifluoromethoxy)phenyl]pyridazine.
What is the SMILES notation for 3-chloro-6-[4-(trifluoromethoxy)phenyl]pyridazine?
The canonical SMILES for 3-chloro-6-[4-(trifluoromethoxy)phenyl]pyridazine is FC(F)(F)Oc1ccc(-c2ccc(Cl)nn2)cc1.
What is the InChIKey of 3-chloro-6-[4-(trifluoromethoxy)phenyl]pyridazine?
The InChIKey is RMKYXBSRKGXPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF3N2O/c12-10-6-5-9(16-17-10)7-1-3-8(4-2-7)18-11(13,14)15/h1-6H.
What are the key properties of 3-chloro-6-[4-(trifluoromethoxy)phenyl]pyridazine?
3-chloro-6-[4-(trifluoromethoxy)phenyl]pyridazine has a molecular weight of 274.63 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[4-(trifluoromethoxy)phenyl]pyridazine is sourced from PubChem (CID 43583892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).