3,5-dichloro-2-[(5-fluoro-2-methoxyphenyl)methylsulfinylmethyl]pyridine

C14H12Cl2FNO2S — CID 86795300

IUPAC3,5-dichloro-2-[(5-fluoro-2-methoxyphenyl)methylsulfinylmethyl]pyridine
SMILESCOc1ccc(F)cc1CS(=O)Cc1ncc(Cl)cc1Cl
InChIInChI=1S/C14H12Cl2FNO2S/c1-20-14-3-2-11(17)4-9(14)7-21(19)8-13-12(16)5-10(15)6-18-13/h2-6H,7-8H2,1H3
InChIKeyMOGDURJLDQKNAY-UHFFFAOYSA-N
MW348.23 g/mol
LogP3.98
Rot. Bonds5

About 3,5-dichloro-2-[(5-fluoro-2-methoxyphenyl)methylsulfinylmethyl]pyridine

3,5-dichloro-2-[(5-fluoro-2-methoxyphenyl)methylsulfinylmethyl]pyridine (PubChem CID 86795300) has the molecular formula C14H12Cl2FNO2S and a molecular weight of 348.23 g/mol. Its IUPAC name is 3,5-dichloro-2-[(5-fluoro-2-methoxyphenyl)methylsulfinylmethyl]pyridine.

Molecular Properties

Compound Name3,5-dichloro-2-[(5-fluoro-2-methoxyphenyl)methylsulfinylmethyl]pyridine
PubChem CID86795300
Molecular FormulaC14H12Cl2FNO2S
Molecular Weight348.23 g/mol
Exact Mass346.99
IUPAC Name3,5-dichloro-2-[(5-fluoro-2-methoxyphenyl)methylsulfinylmethyl]pyridine
SMILESCOc1ccc(F)cc1CS(=O)Cc1ncc(Cl)cc1Cl
InChIInChI=1S/C14H12Cl2FNO2S/c1-20-14-3-2-11(17)4-9(14)7-21(19)8-13-12(16)5-10(15)6-18-13/h2-6H,7-8H2,1H3
InChIKeyMOGDURJLDQKNAY-UHFFFAOYSA-N
XLogP3.98
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-1-methoxy-2-[[(R)-[(2S)-2-methyl-3-methylsulfonylpropyl]sulfinyl]methyl]benzene
CID 97223518
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CID 114790907
N-cyclopentyl-2-[(S)-(5-fluoro-2-methoxyphenyl)methylsulfinyl]acetamide
CID 96548269
3-[(5-chloro-2-methoxyphenyl)methylsulfinylmethyl]-5-methyl-1,2-oxazole
CID 56827604
3-[(3-chloro-4-fluorophenyl)sulfinylmethyl]-4-methoxyaniline
CID 115477239
2-[(5-chloro-2-methoxyphenyl)methylsulfinyl]acetic acid
CID 60983231
2-[(2-chloro-4-fluorophenyl)methylsulfinyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 86923071
(3,5-dichloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methanone
CID 82807772
1-[3-[(2-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl]ethanone
CID 60627011
3-[(2-chlorophenyl)methylsulfinylmethyl]-4-methoxybenzonitrile
CID 103291275
2-(5-chloro-3-methoxy-2-pyridinyl)acetic acid
CID 84670284
2-(2-chloro-4-fluorophenyl)-1-(3,4-dimethoxyphenyl)ethanone
CID 62621300

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-[(5-fluoro-2-methoxyphenyl)methylsulfinylmethyl]pyridine?
The IUPAC name of 3,5-dichloro-2-[(5-fluoro-2-methoxyphenyl)methylsulfinylmethyl]pyridine (CID 86795300) is 3,5-dichloro-2-[(5-fluoro-2-methoxyphenyl)methylsulfinylmethyl]pyridine.
What is the SMILES notation for 3,5-dichloro-2-[(5-fluoro-2-methoxyphenyl)methylsulfinylmethyl]pyridine?
The canonical SMILES for 3,5-dichloro-2-[(5-fluoro-2-methoxyphenyl)methylsulfinylmethyl]pyridine is COc1ccc(F)cc1CS(=O)Cc1ncc(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-2-[(5-fluoro-2-methoxyphenyl)methylsulfinylmethyl]pyridine?
The InChIKey is MOGDURJLDQKNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FNO2S/c1-20-14-3-2-11(17)4-9(14)7-21(19)8-13-12(16)5-10(15)6-18-13/h2-6H,7-8H2,1H3.
What are the key properties of 3,5-dichloro-2-[(5-fluoro-2-methoxyphenyl)methylsulfinylmethyl]pyridine?
3,5-dichloro-2-[(5-fluoro-2-methoxyphenyl)methylsulfinylmethyl]pyridine has a molecular weight of 348.23 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-[(5-fluoro-2-methoxyphenyl)methylsulfinylmethyl]pyridine is sourced from PubChem (CID 86795300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).