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

C13H13FN2 — CID 144623526

IUPAC4-(2-fluoro-4-methylphenyl)-3,5-dimethylpyridazine
SMILESCc1ccc(-c2c(C)cnnc2C)c(F)c1
InChIInChI=1S/C13H13FN2/c1-8-4-5-11(12(14)6-8)13-9(2)7-15-16-10(13)3/h4-7H,1-3H3
InChIKeyVPHUMEAZIZJWKV-UHFFFAOYSA-N
MW216.26 g/mol
LogP3.21
Rot. Bonds1

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

4-(2-fluoro-4-methylphenyl)-3,5-dimethylpyridazine (PubChem CID 144623526) has the molecular formula C13H13FN2 and a molecular weight of 216.26 g/mol. Its IUPAC name is 4-(2-fluoro-4-methylphenyl)-3,5-dimethylpyridazine.

Molecular Properties

Compound Name4-(2-fluoro-4-methylphenyl)-3,5-dimethylpyridazine
PubChem CID144623526
Molecular FormulaC13H13FN2
Molecular Weight216.26 g/mol
Exact Mass216.11
IUPAC Name4-(2-fluoro-4-methylphenyl)-3,5-dimethylpyridazine
SMILESCc1ccc(-c2c(C)cnnc2C)c(F)c1
InChIInChI=1S/C13H13FN2/c1-8-4-5-11(12(14)6-8)13-9(2)7-15-16-10(13)3/h4-7H,1-3H3
InChIKeyVPHUMEAZIZJWKV-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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Related Compounds

4-(2-fluoro-4-methoxyphenyl)-3,5-dimethylpyridazine
CID 118448889
1-(2,5-dimethylphenyl)-2-fluoro-4-methylbenzene
CID 138652236
1-chloro-2-(2-fluoro-4-methylphenyl)-3-methylbenzene
CID 66251614
5-(2-fluoro-4-methylphenyl)-1,2,3-trimethylbenzene
CID 20683371
2-fluoro-1-(2-fluorophenyl)-4-methylbenzene
CID 46313956
4-[2-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]-3,5-dimethylpyridazine
CID 118445645
1,3-difluoro-2-[3-fluoro-4-(2-fluoro-4-methylphenyl)phenyl]-5-methylbenzene
CID 137449218
2-chloro-5-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazole
CID 114770871
2-(2-fluoro-4-methylphenyl)pyrazine
CID 175164456
3-fluoro-4-(2-fluoro-4-methylphenyl)aniline
CID 90222645
2-fluoro-1,4-dimethylbenzene;hydrochloride
CID 143804441
2-fluoro-1,4-dimethylbenzene;methane
CID 157153921

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-methylphenyl)-3,5-dimethylpyridazine?
The IUPAC name of 4-(2-fluoro-4-methylphenyl)-3,5-dimethylpyridazine (CID 144623526) is 4-(2-fluoro-4-methylphenyl)-3,5-dimethylpyridazine.
What is the SMILES notation for 4-(2-fluoro-4-methylphenyl)-3,5-dimethylpyridazine?
The canonical SMILES for 4-(2-fluoro-4-methylphenyl)-3,5-dimethylpyridazine is Cc1ccc(-c2c(C)cnnc2C)c(F)c1.
What is the InChIKey of 4-(2-fluoro-4-methylphenyl)-3,5-dimethylpyridazine?
The InChIKey is VPHUMEAZIZJWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2/c1-8-4-5-11(12(14)6-8)13-9(2)7-15-16-10(13)3/h4-7H,1-3H3.
What are the key properties of 4-(2-fluoro-4-methylphenyl)-3,5-dimethylpyridazine?
4-(2-fluoro-4-methylphenyl)-3,5-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-(2-fluoro-4-methylphenyl)-3,5-dimethylpyridazine is sourced from PubChem (CID 144623526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).