3-chloro-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine

C11H15ClN2O — CID 24800117

IUPAC3-chloro-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine
SMILESCOc1ncc([C@@H]2CCCN2C)cc1Cl
InChIInChI=1S/C11H15ClN2O/c1-14-5-3-4-10(14)8-6-9(12)11(15-2)13-7-8/h6-7,10H,3-5H2,1-2H3/t10-/m0/s1
InChIKeyQTICDFGFBGKHAP-JTQLQIEISA-N
MW226.71 g/mol
LogP2.51
Rot. Bonds2

About 3-chloro-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine

3-chloro-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine (PubChem CID 24800117) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 3-chloro-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name3-chloro-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine
PubChem CID24800117
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name3-chloro-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine
SMILESCOc1ncc([C@@H]2CCCN2C)cc1Cl
InChIInChI=1S/C11H15ClN2O/c1-14-5-3-4-10(14)8-6-9(12)11(15-2)13-7-8/h6-7,10H,3-5H2,1-2H3/t10-/m0/s1
InChIKeyQTICDFGFBGKHAP-JTQLQIEISA-N
XLogP2.51
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-chloro-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine?
The IUPAC name of 3-chloro-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine (CID 24800117) is 3-chloro-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine.
What is the SMILES notation for 3-chloro-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine?
The canonical SMILES for 3-chloro-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine is COc1ncc([C@@H]2CCCN2C)cc1Cl.
What is the InChIKey of 3-chloro-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine?
The InChIKey is QTICDFGFBGKHAP-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-14-5-3-4-10(14)8-6-9(12)11(15-2)13-7-8/h6-7,10H,3-5H2,1-2H3/t10-/m0/s1.
What are the key properties of 3-chloro-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine?
3-chloro-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine has a molecular weight of 226.71 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methoxy-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine is sourced from PubChem (CID 24800117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).