2-[(1-Methyl-3-pyrrolidinyl)thio]-3-pyridinecarboxylic acid

HCID 13726432
Substructure searchFind similar structures

Basic information

Standard SMILES
CN1CCC(Sc2ncccc2C(=O)O)C1
InChIKey
CLGWKYYCDMWWSO-UHFFFAOYSA-N
Molecular formula
C11H14N2O2S
Average molar mass
238.31 g/mol

Names & identifiers

Preferred name
2-[(1-Methyl-3-pyrrolidinyl)thio]-3-pyridinecarboxylic acid
IUPAC
2-(1-methylpyrrolidin-3-yl)sulfanylpyridine-3-carboxylic acid

Names & synonyms

SCHEMBL10371593CLGWKYYCDMWWSO-UHFFFAOYSA-N2[(1-Methyl-3-pyrrolidinyl)thio]-3-pyridinecarboxylic acid2-[(1-Methyl-3-pyrrolidinyl)thio]-3-pyridinecarboxylic acid

Database identifiers

PubChem CID
13726432

Properties

Computed structural properties

XLogP
-0.8
Topological polar surface area
78.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
16

Related reactions

14 records
New reaction record

Linked notes

Loading…