(2R,3S)-2-pyridin-4-yloxolan-3-amine

C9H12N2O — CID 119032003

IUPAC(2R,3S)-2-pyridin-4-yloxolan-3-amine
SMILESN[C@H]1CCO[C@@H]1c1ccncc1
InChIInChI=1S/C9H12N2O/c10-8-3-6-12-9(8)7-1-4-11-5-2-7/h1-2,4-5,8-9H,3,6,10H2/t8-,9+/m0/s1
InChIKeyDNJJXTGHLCEGKC-DTWKUNHWSA-N
MW164.21 g/mol
LogP0.87
Rot. Bonds1

About (2R,3S)-2-pyridin-4-yloxolan-3-amine

(2R,3S)-2-pyridin-4-yloxolan-3-amine (PubChem CID 119032003) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is (2R,3S)-2-pyridin-4-yloxolan-3-amine.

Molecular Properties

Compound Name(2R,3S)-2-pyridin-4-yloxolan-3-amine
PubChem CID119032003
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name(2R,3S)-2-pyridin-4-yloxolan-3-amine
SMILESN[C@H]1CCO[C@@H]1c1ccncc1
InChIInChI=1S/C9H12N2O/c10-8-3-6-12-9(8)7-1-4-11-5-2-7/h1-2,4-5,8-9H,3,6,10H2/t8-,9+/m0/s1
InChIKeyDNJJXTGHLCEGKC-DTWKUNHWSA-N
XLogP0.87
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-pyridin-4-yloxolan-3-amine?
The IUPAC name of (2R,3S)-2-pyridin-4-yloxolan-3-amine (CID 119032003) is (2R,3S)-2-pyridin-4-yloxolan-3-amine.
What is the SMILES notation for (2R,3S)-2-pyridin-4-yloxolan-3-amine?
The canonical SMILES for (2R,3S)-2-pyridin-4-yloxolan-3-amine is N[C@H]1CCO[C@@H]1c1ccncc1.
What is the InChIKey of (2R,3S)-2-pyridin-4-yloxolan-3-amine?
The InChIKey is DNJJXTGHLCEGKC-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H12N2O/c10-8-3-6-12-9(8)7-1-4-11-5-2-7/h1-2,4-5,8-9H,3,6,10H2/t8-,9+/m0/s1.
What are the key properties of (2R,3S)-2-pyridin-4-yloxolan-3-amine?
(2R,3S)-2-pyridin-4-yloxolan-3-amine has a molecular weight of 164.21 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-pyridin-4-yloxolan-3-amine is sourced from PubChem (CID 119032003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).