2-cyclopentylsulfanylpyridine-3-carboxylic acid

C11H13NO2S — CID 16787117

IUPAC2-cyclopentylsulfanylpyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1SC1CCCC1
InChIInChI=1S/C11H13NO2S/c13-11(14)9-6-3-7-12-10(9)15-8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H,13,14)
InChIKeyBGJPFAXRLQDXEI-UHFFFAOYSA-N
MW223.30 g/mol
LogP2.81
Rot. Bonds3

About 2-cyclopentylsulfanylpyridine-3-carboxylic acid

2-cyclopentylsulfanylpyridine-3-carboxylic acid (PubChem CID 16787117) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is 2-cyclopentylsulfanylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-cyclopentylsulfanylpyridine-3-carboxylic acid
PubChem CID16787117
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name2-cyclopentylsulfanylpyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1SC1CCCC1
InChIInChI=1S/C11H13NO2S/c13-11(14)9-6-3-7-12-10(9)15-8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H,13,14)
InChIKeyBGJPFAXRLQDXEI-UHFFFAOYSA-N
XLogP2.81
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanylpyridine-3-carboxylic acid?
The IUPAC name of 2-cyclopentylsulfanylpyridine-3-carboxylic acid (CID 16787117) is 2-cyclopentylsulfanylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-cyclopentylsulfanylpyridine-3-carboxylic acid?
The canonical SMILES for 2-cyclopentylsulfanylpyridine-3-carboxylic acid is O=C(O)c1cccnc1SC1CCCC1.
What is the InChIKey of 2-cyclopentylsulfanylpyridine-3-carboxylic acid?
The InChIKey is BGJPFAXRLQDXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c13-11(14)9-6-3-7-12-10(9)15-8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H,13,14).
What are the key properties of 2-cyclopentylsulfanylpyridine-3-carboxylic acid?
2-cyclopentylsulfanylpyridine-3-carboxylic acid has a molecular weight of 223.30 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanylpyridine-3-carboxylic acid is sourced from PubChem (CID 16787117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).