3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;dihydrochloride

C10H16Cl2N2O — CID 138393569

IUPAC3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;dihydrochloride
SMILESCl.Cl.c1cncc(OC[C@@H]2CCCN2)c1
InChIInChI=1S/C10H14N2O.2ClH/c1-3-9(12-6-1)8-13-10-4-2-5-11-7-10;;/h2,4-5,7,9,12H,1,3,6,8H2;2*1H/t9-;;/m0../s1
InChIKeySAMAYWZHGLVJMN-WWPIYYJJSA-N
MW251.16 g/mol
LogP2.06
Rot. Bonds3

About 3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;dihydrochloride

3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;dihydrochloride (PubChem CID 138393569) has the molecular formula C10H16Cl2N2O and a molecular weight of 251.16 g/mol. Its IUPAC name is 3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;dihydrochloride.

Molecular Properties

Compound Name3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;dihydrochloride
PubChem CID138393569
Molecular FormulaC10H16Cl2N2O
Molecular Weight251.16 g/mol
Exact Mass250.06
IUPAC Name3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;dihydrochloride
SMILESCl.Cl.c1cncc(OC[C@@H]2CCCN2)c1
InChIInChI=1S/C10H14N2O.2ClH/c1-3-9(12-6-1)8-13-10-4-2-5-11-7-10;;/h2,4-5,7,9,12H,1,3,6,8H2;2*1H/t9-;;/m0../s1
InChIKeySAMAYWZHGLVJMN-WWPIYYJJSA-N
XLogP2.06
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 10535320
3-[[(2R)-azetidin-2-yl]methoxy]pyridine;dihydrochloride
CID 18391704
(E)-but-2-enedioic acid;3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 67586557
2-(phenoxymethyl)pyrrolidine;hydrochloride
CID 67802747
3-(2-piperidin-2-ylethoxy)pyridine;hydrochloride
CID 56830402
3-chloro-4-(pyrrolidin-2-ylmethoxy)pyridine
CID 79840170
3-[[(2R)-pyrrolidin-2-yl]methoxy]pyridazine;hydrochloride
CID 167527179
3-fluoro-5-(pyrrolidin-2-ylmethoxy)pyridine
CID 57064323
benzene;3-pyrrolidin-1-yl-5-(pyrrolidin-2-ylmethoxy)pyridine
CID 143977024
(3R,5S)-5-(pyridin-3-yloxymethyl)pyrrolidin-3-ol;dihydrochloride
CID 67586871
5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrimidine
CID 22961876
2-(pyrrolidin-2-ylmethoxy)pyridin-3-amine
CID 117096153

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;dihydrochloride?
The IUPAC name of 3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;dihydrochloride (CID 138393569) is 3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;dihydrochloride.
What is the SMILES notation for 3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;dihydrochloride?
The canonical SMILES for 3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;dihydrochloride is Cl.Cl.c1cncc(OC[C@@H]2CCCN2)c1.
What is the InChIKey of 3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;dihydrochloride?
The InChIKey is SAMAYWZHGLVJMN-WWPIYYJJSA-N. The full InChI is InChI=1S/C10H14N2O.2ClH/c1-3-9(12-6-1)8-13-10-4-2-5-11-7-10;;/h2,4-5,7,9,12H,1,3,6,8H2;2*1H/t9-;;/m0../s1.
What are the key properties of 3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;dihydrochloride?
3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;dihydrochloride has a molecular weight of 251.16 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;dihydrochloride is sourced from PubChem (CID 138393569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).