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

C12H18N2O2 — CID 67585976

IUPAC2-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
SMILESCOc1ncccc1OC[C@@H]1CCCN1C
InChIInChI=1S/C12H18N2O2/c1-14-8-4-5-10(14)9-16-11-6-3-7-13-12(11)15-2/h3,6-7,10H,4-5,8-9H2,1-2H3/t10-/m0/s1
InChIKeyDSISHIILOUXUEA-JTQLQIEISA-N
MW222.29 g/mol
LogP1.56
Rot. Bonds4

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

2-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine (PubChem CID 67585976) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine.

Molecular Properties

Compound Name2-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
PubChem CID67585976
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
SMILESCOc1ncccc1OC[C@@H]1CCCN1C
InChIInChI=1S/C12H18N2O2/c1-14-8-4-5-10(14)9-16-11-6-3-7-13-12(11)15-2/h3,6-7,10H,4-5,8-9H2,1-2H3/t10-/m0/s1
InChIKeyDSISHIILOUXUEA-JTQLQIEISA-N
XLogP1.56
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
The IUPAC name of 2-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine (CID 67585976) is 2-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine.
What is the SMILES notation for 2-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
The canonical SMILES for 2-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine is COc1ncccc1OC[C@@H]1CCCN1C.
What is the InChIKey of 2-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
The InChIKey is DSISHIILOUXUEA-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18N2O2/c1-14-8-4-5-10(14)9-16-11-6-3-7-13-12(11)15-2/h3,6-7,10H,4-5,8-9H2,1-2H3/t10-/m0/s1.
What are the key properties of 2-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
2-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine has a molecular weight of 222.29 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine is sourced from PubChem (CID 67585976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).