2-(3-ethoxyphenyl)-5-(methylsulfonylmethyl)pyridine

C15H17NO3S — CID 74241458

IUPAC2-(3-ethoxyphenyl)-5-(methylsulfonylmethyl)pyridine
SMILESCCOc1cccc(-c2ccc(CS(C)(=O)=O)cn2)c1
InChIInChI=1S/C15H17NO3S/c1-3-19-14-6-4-5-13(9-14)15-8-7-12(10-16-15)11-20(2,17)18/h4-10H,3,11H2,1-2H3
InChIKeyHOOKOKBQPRIWKA-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.69
Rot. Bonds5

About 2-(3-ethoxyphenyl)-5-(methylsulfonylmethyl)pyridine

2-(3-ethoxyphenyl)-5-(methylsulfonylmethyl)pyridine (PubChem CID 74241458) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 2-(3-ethoxyphenyl)-5-(methylsulfonylmethyl)pyridine.

Molecular Properties

Compound Name2-(3-ethoxyphenyl)-5-(methylsulfonylmethyl)pyridine
PubChem CID74241458
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name2-(3-ethoxyphenyl)-5-(methylsulfonylmethyl)pyridine
SMILESCCOc1cccc(-c2ccc(CS(C)(=O)=O)cn2)c1
InChIInChI=1S/C15H17NO3S/c1-3-19-14-6-4-5-13(9-14)15-8-7-12(10-16-15)11-20(2,17)18/h4-10H,3,11H2,1-2H3
InChIKeyHOOKOKBQPRIWKA-UHFFFAOYSA-N
XLogP2.69
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-[[6-(3-ethoxyphenyl)-3-pyridinyl]methyl]benzoic acid
CID 58415800
2-chloro-5-(3-ethoxyphenyl)pyrazine
CID 56721049
1-[6-(3-ethoxyphenyl)-2-methyl-3-pyridinyl]ethanone
CID 82453012
(3S)-4-[6-(3-methoxyphenyl)-3-pyridinyl]-3-(methylamino)butan-2-one
CID 59772249
N-methyl-1-[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanamine
CID 175646893
2-[6-(3-ethoxyphenyl)-2-pyridinyl]quinazoline
CID 67688216
[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
CID 24729919
4-(3-ethoxyphenyl)-1H-pyridazin-6-one
CID 106519861
6-[[6-(3-ethoxyphenyl)-3-pyridinyl]methyl]-2-methylsulfanyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945718
6-[[6-(3-ethoxyphenyl)-3-pyridinyl]methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914311
2-(3-ethoxyphenyl)-1H-imidazole-5-carboxylic acid
CID 62252661
1-[3-[[6-(3-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]-N,N-dimethylmethanesulfonamide
CID 25133294

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenyl)-5-(methylsulfonylmethyl)pyridine?
The IUPAC name of 2-(3-ethoxyphenyl)-5-(methylsulfonylmethyl)pyridine (CID 74241458) is 2-(3-ethoxyphenyl)-5-(methylsulfonylmethyl)pyridine.
What is the SMILES notation for 2-(3-ethoxyphenyl)-5-(methylsulfonylmethyl)pyridine?
The canonical SMILES for 2-(3-ethoxyphenyl)-5-(methylsulfonylmethyl)pyridine is CCOc1cccc(-c2ccc(CS(C)(=O)=O)cn2)c1.
What is the InChIKey of 2-(3-ethoxyphenyl)-5-(methylsulfonylmethyl)pyridine?
The InChIKey is HOOKOKBQPRIWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-3-19-14-6-4-5-13(9-14)15-8-7-12(10-16-15)11-20(2,17)18/h4-10H,3,11H2,1-2H3.
What are the key properties of 2-(3-ethoxyphenyl)-5-(methylsulfonylmethyl)pyridine?
2-(3-ethoxyphenyl)-5-(methylsulfonylmethyl)pyridine has a molecular weight of 291.37 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenyl)-5-(methylsulfonylmethyl)pyridine is sourced from PubChem (CID 74241458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).