3-(oxetan-3-ylsulfanylmethyl)pyridine-2-carboxylic acid

C10H11NO3S — CID 79327023

IUPAC3-(oxetan-3-ylsulfanylmethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1CSC1COC1
InChIInChI=1S/C10H11NO3S/c12-10(13)9-7(2-1-3-11-9)6-15-8-4-14-5-8/h1-3,8H,4-6H2,(H,12,13)
InChIKeyZPIYOZJSKCRWGK-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.41
Rot. Bonds4

About 3-(oxetan-3-ylsulfanylmethyl)pyridine-2-carboxylic acid

3-(oxetan-3-ylsulfanylmethyl)pyridine-2-carboxylic acid (PubChem CID 79327023) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is 3-(oxetan-3-ylsulfanylmethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(oxetan-3-ylsulfanylmethyl)pyridine-2-carboxylic acid
PubChem CID79327023
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Name3-(oxetan-3-ylsulfanylmethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1CSC1COC1
InChIInChI=1S/C10H11NO3S/c12-10(13)9-7(2-1-3-11-9)6-15-8-4-14-5-8/h1-3,8H,4-6H2,(H,12,13)
InChIKeyZPIYOZJSKCRWGK-UHFFFAOYSA-N
XLogP1.41
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(oxetan-3-ylsulfanylmethyl)-2-pyridinyl]hydrazine
CID 79326355
3-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carboxylic acid
CID 106926135
3-(furan-2-ylmethylsulfanylmethyl)pyridine-2-carboxylic acid
CID 55182251
3-[[methyl(oxolan-3-yl)amino]methyl]pyridine-2-carboxylic acid
CID 82754485
3-[[16-[(2-carboxy-3-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylic acid
CID 174155383
acetic acid;3-ethylpyridine-2-carboxylic acid
CID 118035690
3-(oxetan-3-ylsulfanyl)pyrazine-2-carboxylic acid
CID 79327020
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)pyridine-2-carboxylic acid
CID 115479221
3-[[methyl(oxan-4-yl)amino]methyl]pyridine-2-carboxylic acid
CID 63069334
3-[(3-methylphenyl)methylsulfanylmethyl]pyridine-2-carboxylic acid
CID 63098284
3-(pyrazin-2-ylsulfanylmethyl)pyridine-2-carboxylic acid
CID 63381907
3-(2-methoxyethylsulfanylmethyl)pyridine-2-carboxylic acid
CID 63098781

Frequently Asked Questions

What is the IUPAC name of 3-(oxetan-3-ylsulfanylmethyl)pyridine-2-carboxylic acid?
The IUPAC name of 3-(oxetan-3-ylsulfanylmethyl)pyridine-2-carboxylic acid (CID 79327023) is 3-(oxetan-3-ylsulfanylmethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(oxetan-3-ylsulfanylmethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(oxetan-3-ylsulfanylmethyl)pyridine-2-carboxylic acid is O=C(O)c1ncccc1CSC1COC1.
What is the InChIKey of 3-(oxetan-3-ylsulfanylmethyl)pyridine-2-carboxylic acid?
The InChIKey is ZPIYOZJSKCRWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3S/c12-10(13)9-7(2-1-3-11-9)6-15-8-4-14-5-8/h1-3,8H,4-6H2,(H,12,13).
What are the key properties of 3-(oxetan-3-ylsulfanylmethyl)pyridine-2-carboxylic acid?
3-(oxetan-3-ylsulfanylmethyl)pyridine-2-carboxylic acid has a molecular weight of 225.27 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxetan-3-ylsulfanylmethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 79327023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).