3-chloro-2-methoxy-4-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine

C12H17ClN2O — CID 143571471

IUPAC3-chloro-2-methoxy-4-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine
SMILESCOc1ncc([C@@H]2CCCN2C)c(C)c1Cl
InChIInChI=1S/C12H17ClN2O/c1-8-9(10-5-4-6-15(10)2)7-14-12(16-3)11(8)13/h7,10H,4-6H2,1-3H3/t10-/m0/s1
InChIKeyUPNDWOWSJMTDJO-JTQLQIEISA-N
MW240.73 g/mol
LogP2.82
Rot. Bonds2

About 3-chloro-2-methoxy-4-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine

3-chloro-2-methoxy-4-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine (PubChem CID 143571471) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 3-chloro-2-methoxy-4-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name3-chloro-2-methoxy-4-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine
PubChem CID143571471
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name3-chloro-2-methoxy-4-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine
SMILESCOc1ncc([C@@H]2CCCN2C)c(C)c1Cl
InChIInChI=1S/C12H17ClN2O/c1-8-9(10-5-4-6-15(10)2)7-14-12(16-3)11(8)13/h7,10H,4-6H2,1-3H3/t10-/m0/s1
InChIKeyUPNDWOWSJMTDJO-JTQLQIEISA-N
XLogP2.82
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methoxy-4-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine?
The IUPAC name of 3-chloro-2-methoxy-4-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine (CID 143571471) is 3-chloro-2-methoxy-4-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine.
What is the SMILES notation for 3-chloro-2-methoxy-4-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine?
The canonical SMILES for 3-chloro-2-methoxy-4-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine is COc1ncc([C@@H]2CCCN2C)c(C)c1Cl.
What is the InChIKey of 3-chloro-2-methoxy-4-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine?
The InChIKey is UPNDWOWSJMTDJO-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-8-9(10-5-4-6-15(10)2)7-14-12(16-3)11(8)13/h7,10H,4-6H2,1-3H3/t10-/m0/s1.
What are the key properties of 3-chloro-2-methoxy-4-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine?
3-chloro-2-methoxy-4-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine has a molecular weight of 240.73 g/mol, XLogP of 2.82, 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-4-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine is sourced from PubChem (CID 143571471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).