2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxylic acid

C10H11NO3S — CID 124680761

IUPAC2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1O[C@@H]1CCSC1
InChIInChI=1S/C10H11NO3S/c12-10(13)8-2-1-4-11-9(8)14-7-3-5-15-6-7/h1-2,4,7H,3,5-6H2,(H,12,13)/t7-/m1/s1
InChIKeyDAZAKQCNUAFPFL-SSDOTTSWSA-N
MW225.27 g/mol
LogP1.66
Rot. Bonds3

About 2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxylic acid

2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxylic acid (PubChem CID 124680761) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is 2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxylic acid
PubChem CID124680761
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Name2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1O[C@@H]1CCSC1
InChIInChI=1S/C10H11NO3S/c12-10(13)8-2-1-4-11-9(8)14-7-3-5-15-6-7/h1-2,4,7H,3,5-6H2,(H,12,13)/t7-/m1/s1
InChIKeyDAZAKQCNUAFPFL-SSDOTTSWSA-N
XLogP1.66
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxylic acid?
The IUPAC name of 2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxylic acid (CID 124680761) is 2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxylic acid?
The canonical SMILES for 2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxylic acid is O=C(O)c1cccnc1O[C@@H]1CCSC1.
What is the InChIKey of 2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxylic acid?
The InChIKey is DAZAKQCNUAFPFL-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H11NO3S/c12-10(13)8-2-1-4-11-9(8)14-7-3-5-15-6-7/h1-2,4,7H,3,5-6H2,(H,12,13)/t7-/m1/s1.
What are the key properties of 2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxylic acid?
2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxylic acid has a molecular weight of 225.27 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxylic acid is sourced from PubChem (CID 124680761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).