3-(5-chloro-3-pyridinyl)-4-methoxy-6-(trifluoromethyl)pyridazine

C11H7ClF3N3O — CID 165371982

IUPAC3-(5-chloro-3-pyridinyl)-4-methoxy-6-(trifluoromethyl)pyridazine
SMILESCOc1cc(C(F)(F)F)nnc1-c1cncc(Cl)c1
InChIInChI=1S/C11H7ClF3N3O/c1-19-8-3-9(11(13,14)15)17-18-10(8)6-2-7(12)5-16-4-6/h2-5H,1H3
InChIKeyAQAPHIMNTJNFCC-UHFFFAOYSA-N
MW289.64 g/mol
LogP3.22
Rot. Bonds2

About 3-(5-chloro-3-pyridinyl)-4-methoxy-6-(trifluoromethyl)pyridazine

3-(5-chloro-3-pyridinyl)-4-methoxy-6-(trifluoromethyl)pyridazine (PubChem CID 165371982) has the molecular formula C11H7ClF3N3O and a molecular weight of 289.64 g/mol. Its IUPAC name is 3-(5-chloro-3-pyridinyl)-4-methoxy-6-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name3-(5-chloro-3-pyridinyl)-4-methoxy-6-(trifluoromethyl)pyridazine
PubChem CID165371982
Molecular FormulaC11H7ClF3N3O
Molecular Weight289.64 g/mol
Exact Mass289.02
IUPAC Name3-(5-chloro-3-pyridinyl)-4-methoxy-6-(trifluoromethyl)pyridazine
SMILESCOc1cc(C(F)(F)F)nnc1-c1cncc(Cl)c1
InChIInChI=1S/C11H7ClF3N3O/c1-19-8-3-9(11(13,14)15)17-18-10(8)6-2-7(12)5-16-4-6/h2-5H,1H3
InChIKeyAQAPHIMNTJNFCC-UHFFFAOYSA-N
XLogP3.22
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.64
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-3-pyridinyl)-4-methoxy-6-(trifluoromethyl)pyridazine?
The IUPAC name of 3-(5-chloro-3-pyridinyl)-4-methoxy-6-(trifluoromethyl)pyridazine (CID 165371982) is 3-(5-chloro-3-pyridinyl)-4-methoxy-6-(trifluoromethyl)pyridazine.
What is the SMILES notation for 3-(5-chloro-3-pyridinyl)-4-methoxy-6-(trifluoromethyl)pyridazine?
The canonical SMILES for 3-(5-chloro-3-pyridinyl)-4-methoxy-6-(trifluoromethyl)pyridazine is COc1cc(C(F)(F)F)nnc1-c1cncc(Cl)c1.
What is the InChIKey of 3-(5-chloro-3-pyridinyl)-4-methoxy-6-(trifluoromethyl)pyridazine?
The InChIKey is AQAPHIMNTJNFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3N3O/c1-19-8-3-9(11(13,14)15)17-18-10(8)6-2-7(12)5-16-4-6/h2-5H,1H3.
What are the key properties of 3-(5-chloro-3-pyridinyl)-4-methoxy-6-(trifluoromethyl)pyridazine?
3-(5-chloro-3-pyridinyl)-4-methoxy-6-(trifluoromethyl)pyridazine has a molecular weight of 289.64 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-3-pyridinyl)-4-methoxy-6-(trifluoromethyl)pyridazine is sourced from PubChem (CID 165371982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).