4-(5-fluoro-2-methylphenyl)-3,6-dimethylpyridazine

C13H13FN2 — CID 164557692

IUPAC4-(5-fluoro-2-methylphenyl)-3,6-dimethylpyridazine
SMILESCc1cc(-c2cc(F)ccc2C)c(C)nn1
InChIInChI=1S/C13H13FN2/c1-8-4-5-11(14)7-12(8)13-6-9(2)15-16-10(13)3/h4-7H,1-3H3
InChIKeyKIPMMWQETLOYIT-UHFFFAOYSA-N
MW216.26 g/mol
LogP3.21
Rot. Bonds1

About 4-(5-fluoro-2-methylphenyl)-3,6-dimethylpyridazine

4-(5-fluoro-2-methylphenyl)-3,6-dimethylpyridazine (PubChem CID 164557692) has the molecular formula C13H13FN2 and a molecular weight of 216.26 g/mol. Its IUPAC name is 4-(5-fluoro-2-methylphenyl)-3,6-dimethylpyridazine.

Molecular Properties

Compound Name4-(5-fluoro-2-methylphenyl)-3,6-dimethylpyridazine
PubChem CID164557692
Molecular FormulaC13H13FN2
Molecular Weight216.26 g/mol
Exact Mass216.11
IUPAC Name4-(5-fluoro-2-methylphenyl)-3,6-dimethylpyridazine
SMILESCc1cc(-c2cc(F)ccc2C)c(C)nn1
InChIInChI=1S/C13H13FN2/c1-8-4-5-11(14)7-12(8)13-6-9(2)15-16-10(13)3/h4-7H,1-3H3
InChIKeyKIPMMWQETLOYIT-UHFFFAOYSA-N
XLogP3.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methylphenyl)-3,6-dimethylpyridazine?
The IUPAC name of 4-(5-fluoro-2-methylphenyl)-3,6-dimethylpyridazine (CID 164557692) is 4-(5-fluoro-2-methylphenyl)-3,6-dimethylpyridazine.
What is the SMILES notation for 4-(5-fluoro-2-methylphenyl)-3,6-dimethylpyridazine?
The canonical SMILES for 4-(5-fluoro-2-methylphenyl)-3,6-dimethylpyridazine is Cc1cc(-c2cc(F)ccc2C)c(C)nn1.
What is the InChIKey of 4-(5-fluoro-2-methylphenyl)-3,6-dimethylpyridazine?
The InChIKey is KIPMMWQETLOYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2/c1-8-4-5-11(14)7-12(8)13-6-9(2)15-16-10(13)3/h4-7H,1-3H3.
What are the key properties of 4-(5-fluoro-2-methylphenyl)-3,6-dimethylpyridazine?
4-(5-fluoro-2-methylphenyl)-3,6-dimethylpyridazine has a molecular weight of 216.26 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methylphenyl)-3,6-dimethylpyridazine is sourced from PubChem (CID 164557692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).