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

C13H13FN2O — CID 118448889

IUPAC4-(2-fluoro-4-methoxyphenyl)-3,5-dimethylpyridazine
SMILESCOc1ccc(-c2c(C)cnnc2C)c(F)c1
InChIInChI=1S/C13H13FN2O/c1-8-7-15-16-9(2)13(8)11-5-4-10(17-3)6-12(11)14/h4-7H,1-3H3
InChIKeyULTCJRLPFKLZKP-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.91
Rot. Bonds2

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

4-(2-fluoro-4-methoxyphenyl)-3,5-dimethylpyridazine (PubChem CID 118448889) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is 4-(2-fluoro-4-methoxyphenyl)-3,5-dimethylpyridazine.

Molecular Properties

Compound Name4-(2-fluoro-4-methoxyphenyl)-3,5-dimethylpyridazine
PubChem CID118448889
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name4-(2-fluoro-4-methoxyphenyl)-3,5-dimethylpyridazine
SMILESCOc1ccc(-c2c(C)cnnc2C)c(F)c1
InChIInChI=1S/C13H13FN2O/c1-8-7-15-16-9(2)13(8)11-5-4-10(17-3)6-12(11)14/h4-7H,1-3H3
InChIKeyULTCJRLPFKLZKP-UHFFFAOYSA-N
XLogP2.91
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-fluoro-4-methylphenyl)-3,5-dimethylpyridazine
CID 144623526
4-[2-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]-3,5-dimethylpyridazine
CID 118445645
5-methoxy-4-(4-methoxy-2-methylphenyl)-3-methylpyridazine
CID 118448819
3-(2-fluoro-4-methoxyphenyl)-2-methylpyridine
CID 118448916
3-(2-fluoro-4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole
CID 102885848
3-(2,4-dimethoxyphenyl)-4,5-dimethylpyridazine
CID 157011684
5-fluoro-2-(2-fluoro-4-methoxyphenyl)pyridine
CID 70819002
2-fluoro-1-(4-fluorophenyl)-4-methoxybenzene
CID 46312221
2-(2-fluoro-4-methoxyphenyl)-4-methylpyridin-3-amine
CID 114051155
3-(2-fluoro-4-methoxyphenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 102885855
5-(2,4-dimethoxyphenyl)-4-fluoro-2-methylaniline
CID 107593656
5-(2-fluoro-4-methoxyphenyl)-1,2,4-thiadiazol-3-amine
CID 102885475

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-methoxyphenyl)-3,5-dimethylpyridazine?
The IUPAC name of 4-(2-fluoro-4-methoxyphenyl)-3,5-dimethylpyridazine (CID 118448889) is 4-(2-fluoro-4-methoxyphenyl)-3,5-dimethylpyridazine.
What is the SMILES notation for 4-(2-fluoro-4-methoxyphenyl)-3,5-dimethylpyridazine?
The canonical SMILES for 4-(2-fluoro-4-methoxyphenyl)-3,5-dimethylpyridazine is COc1ccc(-c2c(C)cnnc2C)c(F)c1.
What is the InChIKey of 4-(2-fluoro-4-methoxyphenyl)-3,5-dimethylpyridazine?
The InChIKey is ULTCJRLPFKLZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-8-7-15-16-9(2)13(8)11-5-4-10(17-3)6-12(11)14/h4-7H,1-3H3.
What are the key properties of 4-(2-fluoro-4-methoxyphenyl)-3,5-dimethylpyridazine?
4-(2-fluoro-4-methoxyphenyl)-3,5-dimethylpyridazine has a molecular weight of 232.26 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-methoxyphenyl)-3,5-dimethylpyridazine is sourced from PubChem (CID 118448889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).