3-(2,3-dimethoxyphenyl)-6-(4-fluorophenyl)pyridazine

C18H15FN2O2 — CID 77093795

IUPAC3-(2,3-dimethoxyphenyl)-6-(4-fluorophenyl)pyridazine
SMILESCOc1cccc(-c2ccc(-c3ccc(F)cc3)nn2)c1OC
InChIInChI=1S/C18H15FN2O2/c1-22-17-5-3-4-14(18(17)23-2)16-11-10-15(20-21-16)12-6-8-13(19)9-7-12/h3-11H,1-2H3
InChIKeyAXTKKMYBGFCWRZ-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.97
Rot. Bonds4

About 3-(2,3-dimethoxyphenyl)-6-(4-fluorophenyl)pyridazine

3-(2,3-dimethoxyphenyl)-6-(4-fluorophenyl)pyridazine (PubChem CID 77093795) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is 3-(2,3-dimethoxyphenyl)-6-(4-fluorophenyl)pyridazine.

Molecular Properties

Compound Name3-(2,3-dimethoxyphenyl)-6-(4-fluorophenyl)pyridazine
PubChem CID77093795
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Name3-(2,3-dimethoxyphenyl)-6-(4-fluorophenyl)pyridazine
SMILESCOc1cccc(-c2ccc(-c3ccc(F)cc3)nn2)c1OC
InChIInChI=1S/C18H15FN2O2/c1-22-17-5-3-4-14(18(17)23-2)16-11-10-15(20-21-16)12-6-8-13(19)9-7-12/h3-11H,1-2H3
InChIKeyAXTKKMYBGFCWRZ-UHFFFAOYSA-N
XLogP3.97
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-difluorophenyl)-2,3-dimethoxybenzene
CID 165476912
5-bromo-2-(2,3-dimethoxyphenyl)pyridine
CID 68621665
6-(2,3-dimethoxyphenyl)pyridin-3-amine
CID 82794989
6-(2,3-dimethoxyphenyl)-3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 985736
4-(2,3-dimethoxyphenyl)-N,N-dimethylaniline
CID 173360474
5-fluoro-2-(2-methoxy-3-methylphenyl)pyridine
CID 170278839
5-(4-fluorophenyl)-1,2,3-trimethoxybenzene
CID 45156545
8-(4-fluorophenyl)-2,4-dimethoxyquinoline
CID 70166715
1-[1-(4-fluorophenyl)ethyl]-2,3-dimethoxybenzene
CID 174534861
3-(2,3-dimethoxyphenyl)pyridine
CID 22001178
5-fluoro-2-(2-fluoro-3-methoxyphenyl)pyridine
CID 50961650
3,12-bis(2,3-dimethoxyphenyl)-1,2,4,5,7,8,10,11-octazatricyclo[7.3.0.02,6]dodeca-3,5,7,9,11-pentaene
CID 156905120

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethoxyphenyl)-6-(4-fluorophenyl)pyridazine?
The IUPAC name of 3-(2,3-dimethoxyphenyl)-6-(4-fluorophenyl)pyridazine (CID 77093795) is 3-(2,3-dimethoxyphenyl)-6-(4-fluorophenyl)pyridazine.
What is the SMILES notation for 3-(2,3-dimethoxyphenyl)-6-(4-fluorophenyl)pyridazine?
The canonical SMILES for 3-(2,3-dimethoxyphenyl)-6-(4-fluorophenyl)pyridazine is COc1cccc(-c2ccc(-c3ccc(F)cc3)nn2)c1OC.
What is the InChIKey of 3-(2,3-dimethoxyphenyl)-6-(4-fluorophenyl)pyridazine?
The InChIKey is AXTKKMYBGFCWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c1-22-17-5-3-4-14(18(17)23-2)16-11-10-15(20-21-16)12-6-8-13(19)9-7-12/h3-11H,1-2H3.
What are the key properties of 3-(2,3-dimethoxyphenyl)-6-(4-fluorophenyl)pyridazine?
3-(2,3-dimethoxyphenyl)-6-(4-fluorophenyl)pyridazine has a molecular weight of 310.33 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethoxyphenyl)-6-(4-fluorophenyl)pyridazine is sourced from PubChem (CID 77093795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).