3-(2-fluorophenyl)-4,5,6-trimethylpyridazine

C13H13FN2 — CID 169124684

IUPAC3-(2-fluorophenyl)-4,5,6-trimethylpyridazine
SMILESCc1nnc(-c2ccccc2F)c(C)c1C
InChIInChI=1S/C13H13FN2/c1-8-9(2)13(16-15-10(8)3)11-6-4-5-7-12(11)14/h4-7H,1-3H3
InChIKeyYUVJAJKBRGUQAV-UHFFFAOYSA-N
MW216.26 g/mol
LogP3.21
Rot. Bonds1

About 3-(2-fluorophenyl)-4,5,6-trimethylpyridazine

3-(2-fluorophenyl)-4,5,6-trimethylpyridazine (PubChem CID 169124684) has the molecular formula C13H13FN2 and a molecular weight of 216.26 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-4,5,6-trimethylpyridazine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-4,5,6-trimethylpyridazine
PubChem CID169124684
Molecular FormulaC13H13FN2
Molecular Weight216.26 g/mol
Exact Mass216.11
IUPAC Name3-(2-fluorophenyl)-4,5,6-trimethylpyridazine
SMILESCc1nnc(-c2ccccc2F)c(C)c1C
InChIInChI=1S/C13H13FN2/c1-8-9(2)13(16-15-10(8)3)11-6-4-5-7-12(11)14/h4-7H,1-3H3
InChIKeyYUVJAJKBRGUQAV-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

3,4,5-trimethyl-6-phenylpyridazine
CID 169124700
6-chloro-3-(2-fluorophenyl)-4-methylpyridazine
CID 112679303
3-(2-fluorophenyl)-4,5-dimethyl-1,2-oxazole
CID 174666192
6-(3-fluoro-2-methylphenyl)-N,4,5-trimethylpyridazin-3-amine
CID 113324521
4-(2-fluorophenyl)-5-methyl-1,3-thiazole
CID 67275565
ethane;3-(2-fluorophenyl)-6-(2-methylphenyl)-1,2,4,5-tetrazine
CID 145320896
2-(2-fluorophenyl)-4-methyl-1,3-thiazole
CID 53443450
1,2,4,5-tetrafluoro-3-(2-fluorophenyl)-6-methylbenzene
CID 46314099
1-benzyl-3-(2-fluorophenyl)-4-methylpyrazol-5-amine
CID 53416535
6-(3-fluoro-2-methylphenyl)-4,5-dimethyl-N-propylpyridazin-3-amine
CID 115503020
2-(2-fluorophenyl)-3-iodo-4-methylpyridine
CID 46312841
4-(2-fluorophenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136692391

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-4,5,6-trimethylpyridazine?
The IUPAC name of 3-(2-fluorophenyl)-4,5,6-trimethylpyridazine (CID 169124684) is 3-(2-fluorophenyl)-4,5,6-trimethylpyridazine.
What is the SMILES notation for 3-(2-fluorophenyl)-4,5,6-trimethylpyridazine?
The canonical SMILES for 3-(2-fluorophenyl)-4,5,6-trimethylpyridazine is Cc1nnc(-c2ccccc2F)c(C)c1C.
What is the InChIKey of 3-(2-fluorophenyl)-4,5,6-trimethylpyridazine?
The InChIKey is YUVJAJKBRGUQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2/c1-8-9(2)13(16-15-10(8)3)11-6-4-5-7-12(11)14/h4-7H,1-3H3.
What are the key properties of 3-(2-fluorophenyl)-4,5,6-trimethylpyridazine?
3-(2-fluorophenyl)-4,5,6-trimethylpyridazine 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 3-(2-fluorophenyl)-4,5,6-trimethylpyridazine is sourced from PubChem (CID 169124684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).