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

C11H15BrN2O — CID 21309700

IUPAC4-bromo-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
SMILESCN1CCC[C@H]1COc1cnccc1Br
InChIInChI=1S/C11H15BrN2O/c1-14-6-2-3-9(14)8-15-11-7-13-5-4-10(11)12/h4-5,7,9H,2-3,6,8H2,1H3/t9-/m0/s1
InChIKeyYWXVLWKGOMRKIX-VIFPVBQESA-N
MW271.16 g/mol
LogP2.32
Rot. Bonds3

About 4-bromo-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine

4-bromo-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine (PubChem CID 21309700) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 4-bromo-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine.

Molecular Properties

Compound Name4-bromo-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
PubChem CID21309700
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name4-bromo-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
SMILESCN1CCC[C@H]1COc1cnccc1Br
InChIInChI=1S/C11H15BrN2O/c1-14-6-2-3-9(14)8-15-11-7-13-5-4-10(11)12/h4-5,7,9H,2-3,6,8H2,1H3/t9-/m0/s1
InChIKeyYWXVLWKGOMRKIX-VIFPVBQESA-N
XLogP2.32
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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A-84543
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3-(2-(N,N,N-trimethylammonium)ethoxy)pyridine
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5-[[(2S)-azetidin-2-yl]methoxy]-2-bromopyridine
CID 10060316
2-Chloro-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridine
CID 10263121
3-(2-(S)-azetidinylmethoxy)-5-bromopyridine
CID 10421874
3-[[(2S)-1-Methyl-2-azetidinyl]methoxy]pyridine
CID 10654912
(R)-3-(Pyrrolidin-2-ylmethoxy)pyridine
CID 10702468
3-Bromo-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridine
CID 11288721
5-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridin-3-ylamine
CID 21309646

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
The IUPAC name of 4-bromo-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine (CID 21309700) is 4-bromo-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine.
What is the SMILES notation for 4-bromo-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
The canonical SMILES for 4-bromo-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine is CN1CCC[C@H]1COc1cnccc1Br.
What is the InChIKey of 4-bromo-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
The InChIKey is YWXVLWKGOMRKIX-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-14-6-2-3-9(14)8-15-11-7-13-5-4-10(11)12/h4-5,7,9H,2-3,6,8H2,1H3/t9-/m0/s1.
What are the key properties of 4-bromo-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
4-bromo-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine has a molecular weight of 271.16 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine is sourced from PubChem (CID 21309700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).