2-(5-ethylsulfanyl-2-pyridinyl)acetic acid

C9H11NO2S — CID 145231908

IUPAC2-(5-ethylsulfanyl-2-pyridinyl)acetic acid
SMILESCCSc1ccc(CC(=O)O)nc1
InChIInChI=1S/C9H11NO2S/c1-2-13-8-4-3-7(10-6-8)5-9(11)12/h3-4,6H,2,5H2,1H3,(H,11,12)
InChIKeyNUAJMIOYEQJGLN-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.82
Rot. Bonds4

About 2-(5-ethylsulfanyl-2-pyridinyl)acetic acid

2-(5-ethylsulfanyl-2-pyridinyl)acetic acid (PubChem CID 145231908) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is 2-(5-ethylsulfanyl-2-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(5-ethylsulfanyl-2-pyridinyl)acetic acid
PubChem CID145231908
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name2-(5-ethylsulfanyl-2-pyridinyl)acetic acid
SMILESCCSc1ccc(CC(=O)O)nc1
InChIInChI=1S/C9H11NO2S/c1-2-13-8-4-3-7(10-6-8)5-9(11)12/h3-4,6H,2,5H2,1H3,(H,11,12)
InChIKeyNUAJMIOYEQJGLN-UHFFFAOYSA-N
XLogP1.82
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-hydroxysulfanyl-2-pyridinyl)acetic acid
CID 177191989
2-(5-bromo-2-pyridinyl)-1-(4-ethylsulfanylphenyl)ethanone
CID 106847844
2-(5-ethyl-2-pyridinyl)-1-(4-ethylsulfanylphenyl)ethanone
CID 106848103
2-(5-acetyl-2-pyridinyl)acetic acid
CID 122715563
2-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]acetic acid
CID 98022615
5-ethylsulfanyl-2-fluoropyridine
CID 135283323
4-[(5-ethylsulfanyl-2-pyridinyl)methyl]morpholine
CID 144686812
2-[5-(ethoxycarbonylamino)-2-pyridinyl]acetic acid
CID 107339556
2-[6-bromo-4-[(5-ethylsulfanyl-2-pyridinyl)oxy]naphthalen-2-yl]acetic acid
CID 143992971
2-[5-(methylsulfamoylamino)-2-pyridinyl]acetic acid
CID 107339875
2-[5-(dimethylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107339518
2-(5-formamido-2-pyridinyl)acetic acid
CID 107339372

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylsulfanyl-2-pyridinyl)acetic acid?
The IUPAC name of 2-(5-ethylsulfanyl-2-pyridinyl)acetic acid (CID 145231908) is 2-(5-ethylsulfanyl-2-pyridinyl)acetic acid.
What is the SMILES notation for 2-(5-ethylsulfanyl-2-pyridinyl)acetic acid?
The canonical SMILES for 2-(5-ethylsulfanyl-2-pyridinyl)acetic acid is CCSc1ccc(CC(=O)O)nc1.
What is the InChIKey of 2-(5-ethylsulfanyl-2-pyridinyl)acetic acid?
The InChIKey is NUAJMIOYEQJGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-2-13-8-4-3-7(10-6-8)5-9(11)12/h3-4,6H,2,5H2,1H3,(H,11,12).
What are the key properties of 2-(5-ethylsulfanyl-2-pyridinyl)acetic acid?
2-(5-ethylsulfanyl-2-pyridinyl)acetic acid has a molecular weight of 197.26 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylsulfanyl-2-pyridinyl)acetic acid is sourced from PubChem (CID 145231908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).