(2S,3R)-2-pyridin-3-yloxolan-3-amine;dihydrochloride

C9H14Cl2N2O — CID 136582717

IUPAC(2S,3R)-2-pyridin-3-yloxolan-3-amine;dihydrochloride
SMILESCl.Cl.N[C@@H]1CCO[C@H]1c1cccnc1
InChIInChI=1S/C9H12N2O.2ClH/c10-8-3-5-12-9(8)7-2-1-4-11-6-7;;/h1-2,4,6,8-9H,3,5,10H2;2*1H/t8-,9+;;/m1../s1
InChIKeyALFBARQSSVNDBG-BPRGXCPLSA-N
MW237.13 g/mol
LogP1.71
Rot. Bonds1

About (2S,3R)-2-pyridin-3-yloxolan-3-amine;dihydrochloride

(2S,3R)-2-pyridin-3-yloxolan-3-amine;dihydrochloride (PubChem CID 136582717) has the molecular formula C9H14Cl2N2O and a molecular weight of 237.13 g/mol. Its IUPAC name is (2S,3R)-2-pyridin-3-yloxolan-3-amine;dihydrochloride.

Molecular Properties

Compound Name(2S,3R)-2-pyridin-3-yloxolan-3-amine;dihydrochloride
PubChem CID136582717
Molecular FormulaC9H14Cl2N2O
Molecular Weight237.13 g/mol
Exact Mass236.05
IUPAC Name(2S,3R)-2-pyridin-3-yloxolan-3-amine;dihydrochloride
SMILESCl.Cl.N[C@@H]1CCO[C@H]1c1cccnc1
InChIInChI=1S/C9H12N2O.2ClH/c10-8-3-5-12-9(8)7-2-1-4-11-6-7;;/h1-2,4,6,8-9H,3,5,10H2;2*1H/t8-,9+;;/m1../s1
InChIKeyALFBARQSSVNDBG-BPRGXCPLSA-N
XLogP1.71
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.13
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(Piperidin-3-yloxy)methyl]pyridine
CID 45786849
3-(4,5-Dihydro-4,4-dimethyl-1,3-oxazol-2-yl)-4-methylpyridine
CID 2796523
5-Pyridin-3-yloxolan-2-one
CID 3015101
3-(Tetrahydro-2-furanyl)pyridine
CID 53908098
3-(Pyrrolidin-3-ylmethoxymethyl)-pyridine
CID 53414666
2-(Aminomethyl)-5-(3''-pyridinylethyl)tetrahydrofuran
CID 11492164
(5-Pyridin-3-yloxolan-2-yl)methanamine
CID 11367332
3-[5-(Bromomethyl)oxolan-2-yl]pyridine
CID 11459143
3-(5-Ethyloxolan-2-yl)pyridine
CID 11816181
3-((2-(Dimethylamino)propoxy)methyl)pyridine
CID 3025107
Tetrahydro-5-(3-pyridinyl)-2-furanol
CID 179630
3-(1-Methyl-pyrrolidin-3-yloxymethyl)-pyridine
CID 18723105

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-pyridin-3-yloxolan-3-amine;dihydrochloride?
The IUPAC name of (2S,3R)-2-pyridin-3-yloxolan-3-amine;dihydrochloride (CID 136582717) is (2S,3R)-2-pyridin-3-yloxolan-3-amine;dihydrochloride.
What is the SMILES notation for (2S,3R)-2-pyridin-3-yloxolan-3-amine;dihydrochloride?
The canonical SMILES for (2S,3R)-2-pyridin-3-yloxolan-3-amine;dihydrochloride is Cl.Cl.N[C@@H]1CCO[C@H]1c1cccnc1.
What is the InChIKey of (2S,3R)-2-pyridin-3-yloxolan-3-amine;dihydrochloride?
The InChIKey is ALFBARQSSVNDBG-BPRGXCPLSA-N. The full InChI is InChI=1S/C9H12N2O.2ClH/c10-8-3-5-12-9(8)7-2-1-4-11-6-7;;/h1-2,4,6,8-9H,3,5,10H2;2*1H/t8-,9+;;/m1../s1.
What are the key properties of (2S,3R)-2-pyridin-3-yloxolan-3-amine;dihydrochloride?
(2S,3R)-2-pyridin-3-yloxolan-3-amine;dihydrochloride has a molecular weight of 237.13 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-pyridin-3-yloxolan-3-amine;dihydrochloride is sourced from PubChem (CID 136582717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).