3-[(2-fluorophenyl)sulfinylmethyl]-6-methoxypyridazine

C12H11FN2O2S — CID 114268884

IUPAC3-[(2-fluorophenyl)sulfinylmethyl]-6-methoxypyridazine
SMILESCOc1ccc(CS(=O)c2ccccc2F)nn1
InChIInChI=1S/C12H11FN2O2S/c1-17-12-7-6-9(14-15-12)8-18(16)11-5-3-2-4-10(11)13/h2-7H,8H2,1H3
InChIKeySMDVGCDVZYFZOR-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.93
Rot. Bonds4

About 3-[(2-fluorophenyl)sulfinylmethyl]-6-methoxypyridazine

3-[(2-fluorophenyl)sulfinylmethyl]-6-methoxypyridazine (PubChem CID 114268884) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)sulfinylmethyl]-6-methoxypyridazine.

Molecular Properties

Compound Name3-[(2-fluorophenyl)sulfinylmethyl]-6-methoxypyridazine
PubChem CID114268884
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC Name3-[(2-fluorophenyl)sulfinylmethyl]-6-methoxypyridazine
SMILESCOc1ccc(CS(=O)c2ccccc2F)nn1
InChIInChI=1S/C12H11FN2O2S/c1-17-12-7-6-9(14-15-12)8-18(16)11-5-3-2-4-10(11)13/h2-7H,8H2,1H3
InChIKeySMDVGCDVZYFZOR-UHFFFAOYSA-N
XLogP1.93
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-fluoro-2-(methoxymethylsulfinyl)benzene
CID 65364545
3-[(2-fluorophenyl)sulfonylmethyl]-6-methoxypyridazine
CID 114268883
3-[(2-fluorophenyl)sulfinylmethyl]-5-methoxyaniline
CID 81155330
methyl 2-[2-[(2-fluorophenyl)sulfinylmethyl]phenyl]acetate
CID 115463232
3-fluoro-2-[(2-fluorophenyl)sulfinylmethyl]aniline
CID 55201728
1-[(2-fluorophenyl)sulfinylmethyl]-3,5-dimethylbenzene
CID 63791578
1-fluoro-2-propylsulfinylbenzene
CID 64717305
1-fluoro-2-[2-(3-methoxypropoxy)ethylsulfinyl]benzene
CID 103184357
[2-fluoro-3-[(2-fluorophenyl)sulfinylmethyl]phenyl]methanamine
CID 107120145
2-(6-methoxypyridazin-3-yl)ethanethioamide
CID 130505695
methyl 3-(2-fluorophenyl)sulfinylpropanoate
CID 61303739
1-[3-[(2-fluorophenyl)sulfinylmethyl]-4-methoxyphenyl]-N-methylmethanamine
CID 64658336

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)sulfinylmethyl]-6-methoxypyridazine?
The IUPAC name of 3-[(2-fluorophenyl)sulfinylmethyl]-6-methoxypyridazine (CID 114268884) is 3-[(2-fluorophenyl)sulfinylmethyl]-6-methoxypyridazine.
What is the SMILES notation for 3-[(2-fluorophenyl)sulfinylmethyl]-6-methoxypyridazine?
The canonical SMILES for 3-[(2-fluorophenyl)sulfinylmethyl]-6-methoxypyridazine is COc1ccc(CS(=O)c2ccccc2F)nn1.
What is the InChIKey of 3-[(2-fluorophenyl)sulfinylmethyl]-6-methoxypyridazine?
The InChIKey is SMDVGCDVZYFZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c1-17-12-7-6-9(14-15-12)8-18(16)11-5-3-2-4-10(11)13/h2-7H,8H2,1H3.
What are the key properties of 3-[(2-fluorophenyl)sulfinylmethyl]-6-methoxypyridazine?
3-[(2-fluorophenyl)sulfinylmethyl]-6-methoxypyridazine has a molecular weight of 266.30 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)sulfinylmethyl]-6-methoxypyridazine is sourced from PubChem (CID 114268884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).