2-(4-bromo-2-fluoro-5-propan-2-yloxyphenyl)-4,5-dimethylpyridazin-3-one

C15H16BrFN2O2 — CID 59875300

IUPAC2-(4-bromo-2-fluoro-5-propan-2-yloxyphenyl)-4,5-dimethylpyridazin-3-one
SMILESCc1cnn(-c2cc(OC(C)C)c(Br)cc2F)c(=O)c1C
InChIInChI=1S/C15H16BrFN2O2/c1-8(2)21-14-6-13(12(17)5-11(14)16)19-15(20)10(4)9(3)7-18-19/h5-8H,1-4H3
InChIKeyAOZMEDOXVRVXOL-UHFFFAOYSA-N
MW355.21 g/mol
LogP3.54
Rot. Bonds3

About 2-(4-bromo-2-fluoro-5-propan-2-yloxyphenyl)-4,5-dimethylpyridazin-3-one

2-(4-bromo-2-fluoro-5-propan-2-yloxyphenyl)-4,5-dimethylpyridazin-3-one (PubChem CID 59875300) has the molecular formula C15H16BrFN2O2 and a molecular weight of 355.21 g/mol. Its IUPAC name is 2-(4-bromo-2-fluoro-5-propan-2-yloxyphenyl)-4,5-dimethylpyridazin-3-one.

Molecular Properties

Compound Name2-(4-bromo-2-fluoro-5-propan-2-yloxyphenyl)-4,5-dimethylpyridazin-3-one
PubChem CID59875300
Molecular FormulaC15H16BrFN2O2
Molecular Weight355.21 g/mol
Exact Mass354.04
IUPAC Name2-(4-bromo-2-fluoro-5-propan-2-yloxyphenyl)-4,5-dimethylpyridazin-3-one
SMILESCc1cnn(-c2cc(OC(C)C)c(Br)cc2F)c(=O)c1C
InChIInChI=1S/C15H16BrFN2O2/c1-8(2)21-14-6-13(12(17)5-11(14)16)19-15(20)10(4)9(3)7-18-19/h5-8H,1-4H3
InChIKeyAOZMEDOXVRVXOL-UHFFFAOYSA-N
XLogP3.54
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.21
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-amino-4-chloro-2-fluorophenyl)-4,5-dimethylpyridazin-3-one;2-(4-chloro-2-fluoro-5-methylphenyl)-4,5-dimethylpyridazin-3-one
CID 158408147
3-(4-bromo-2-fluoro-5-propan-2-yloxyphenyl)-1,5-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 21265617
ethyl 2-[2-chloro-5-(4,5-dimethyl-6-oxopyridazin-1-yl)-4-fluorophenoxy]acetate
CID 59875313
2-(4-bromo-2-fluoro-5-methoxyphenyl)-4-methyl-1,2,4-triazine-3,5-dione
CID 21265603
3-(4-bromo-2-fluoro-5-propan-2-yloxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 21265589
1-(4-bromo-5-but-3-yn-2-yloxy-2-fluorophenyl)-4-(3-fluoropropyl)tetrazol-5-one
CID 134121646
2-[4-bromo-2-fluoro-5-(methoxymethoxy)phenyl]-4-methyl-1,2,4-triazine-3,5-dione
CID 14277011
2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-6-methyl-5-(trifluoromethyl)pyridazin-3-one
CID 10926600
2-[2-chloro-4-fluoro-5-[5-methyl-6-oxo-4-(trifluoromethyl)pyridazin-1-yl]phenoxy]acetaldehyde
CID 18689487
2-(4-chloro-2-fluoro-5-prop-2-enoxyphenyl)-4-methyl-5-(trifluoromethyl)pyridazin-3-one
CID 18689486
methyl 2-[2-[2-chloro-4-fluoro-5-[5-methyl-6-oxo-4-(trifluoromethyl)pyridazin-1-yl]phenoxy]phenoxy]propanoate
CID 139895627
4,5-dimethyl-2-(4-methylphenyl)pyridazin-3-one
CID 144652032

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluoro-5-propan-2-yloxyphenyl)-4,5-dimethylpyridazin-3-one?
The IUPAC name of 2-(4-bromo-2-fluoro-5-propan-2-yloxyphenyl)-4,5-dimethylpyridazin-3-one (CID 59875300) is 2-(4-bromo-2-fluoro-5-propan-2-yloxyphenyl)-4,5-dimethylpyridazin-3-one.
What is the SMILES notation for 2-(4-bromo-2-fluoro-5-propan-2-yloxyphenyl)-4,5-dimethylpyridazin-3-one?
The canonical SMILES for 2-(4-bromo-2-fluoro-5-propan-2-yloxyphenyl)-4,5-dimethylpyridazin-3-one is Cc1cnn(-c2cc(OC(C)C)c(Br)cc2F)c(=O)c1C.
What is the InChIKey of 2-(4-bromo-2-fluoro-5-propan-2-yloxyphenyl)-4,5-dimethylpyridazin-3-one?
The InChIKey is AOZMEDOXVRVXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2O2/c1-8(2)21-14-6-13(12(17)5-11(14)16)19-15(20)10(4)9(3)7-18-19/h5-8H,1-4H3.
What are the key properties of 2-(4-bromo-2-fluoro-5-propan-2-yloxyphenyl)-4,5-dimethylpyridazin-3-one?
2-(4-bromo-2-fluoro-5-propan-2-yloxyphenyl)-4,5-dimethylpyridazin-3-one has a molecular weight of 355.21 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluoro-5-propan-2-yloxyphenyl)-4,5-dimethylpyridazin-3-one is sourced from PubChem (CID 59875300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).