3-chloro-4-methoxy-6-(trifluoromethyl)pyridazine

C6H4ClF3N2O — CID 155242892

IUPAC3-chloro-4-methoxy-6-(trifluoromethyl)pyridazine
SMILESCOc1cc(C(F)(F)F)nnc1Cl
InChIInChI=1S/C6H4ClF3N2O/c1-13-3-2-4(6(8,9)10)11-12-5(3)7/h2H,1H3
InChIKeyMHJHNJXGNMPYNC-UHFFFAOYSA-N
MW212.56 g/mol
LogP2.16
Rot. Bonds1

About 3-chloro-4-methoxy-6-(trifluoromethyl)pyridazine

3-chloro-4-methoxy-6-(trifluoromethyl)pyridazine (PubChem CID 155242892) has the molecular formula C6H4ClF3N2O and a molecular weight of 212.56 g/mol. Its IUPAC name is 3-chloro-4-methoxy-6-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name3-chloro-4-methoxy-6-(trifluoromethyl)pyridazine
PubChem CID155242892
Molecular FormulaC6H4ClF3N2O
Molecular Weight212.56 g/mol
Exact Mass212.00
IUPAC Name3-chloro-4-methoxy-6-(trifluoromethyl)pyridazine
SMILESCOc1cc(C(F)(F)F)nnc1Cl
InChIInChI=1S/C6H4ClF3N2O/c1-13-3-2-4(6(8,9)10)11-12-5(3)7/h2H,1H3
InChIKeyMHJHNJXGNMPYNC-UHFFFAOYSA-N
XLogP2.16
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.56
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Bromo-4-methoxy-6-trifluoromethyl-pyridazine
CID 59233382
4-Methoxy-3-methyl-6-(trifluoromethyl)pyridazine
CID 139386384
6-Chloro-4-methoxy-3-[1-(trifluoromethyl)cyclopropyl]pyridazine
CID 164537326
6-Chloro-4-methoxy-3-(3,3,3-trifluoroprop-1-en-2-yl)pyridazine
CID 164537355
3-Iodo-4-methoxy-6-(trifluoromethyl)pyridazine
CID 166662542
4-Chloro-6-(difluoromethoxy)-3-methylpyridazine
CID 168991819
6-Chloro-3-(3,3-difluorocyclobutyl)-4-methoxypyridazine
CID 172259687
[3-Chloro-6-(difluoromethyl)pyridazin-4-yl] carbamate
CID 175311825
5-Methoxy-3-(trifluoromethyl)pyridazine
CID 135393061
6-Chloro-4-ethoxy-3-(trifluoromethyl)pyridazine
CID 154725896
4-Methoxy-3,6-dimethylpyridazine
CID 12262082
6-Chloro-3-chloromethyl-4-methoxypyridazine
CID 21919294

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-6-(trifluoromethyl)pyridazine?
The IUPAC name of 3-chloro-4-methoxy-6-(trifluoromethyl)pyridazine (CID 155242892) is 3-chloro-4-methoxy-6-(trifluoromethyl)pyridazine.
What is the SMILES notation for 3-chloro-4-methoxy-6-(trifluoromethyl)pyridazine?
The canonical SMILES for 3-chloro-4-methoxy-6-(trifluoromethyl)pyridazine is COc1cc(C(F)(F)F)nnc1Cl.
What is the InChIKey of 3-chloro-4-methoxy-6-(trifluoromethyl)pyridazine?
The InChIKey is MHJHNJXGNMPYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF3N2O/c1-13-3-2-4(6(8,9)10)11-12-5(3)7/h2H,1H3.
What are the key properties of 3-chloro-4-methoxy-6-(trifluoromethyl)pyridazine?
3-chloro-4-methoxy-6-(trifluoromethyl)pyridazine has a molecular weight of 212.56 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-6-(trifluoromethyl)pyridazine is sourced from PubChem (CID 155242892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).