(2R,3R)-2-pyridin-4-yloxan-3-amine

C10H14N2O — CID 124709129

IUPAC(2R,3R)-2-pyridin-4-yloxan-3-amine
SMILESN[C@@H]1CCCO[C@@H]1c1ccncc1
InChIInChI=1S/C10H14N2O/c11-9-2-1-7-13-10(9)8-3-5-12-6-4-8/h3-6,9-10H,1-2,7,11H2/t9-,10-/m1/s1
InChIKeyHCFJJELKYFVCQU-NXEZZACHSA-N
MW178.24 g/mol
LogP1.26
Rot. Bonds1

About (2R,3R)-2-pyridin-4-yloxan-3-amine

(2R,3R)-2-pyridin-4-yloxan-3-amine (PubChem CID 124709129) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is (2R,3R)-2-pyridin-4-yloxan-3-amine.

Molecular Properties

Compound Name(2R,3R)-2-pyridin-4-yloxan-3-amine
PubChem CID124709129
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name(2R,3R)-2-pyridin-4-yloxan-3-amine
SMILESN[C@@H]1CCCO[C@@H]1c1ccncc1
InChIInChI=1S/C10H14N2O/c11-9-2-1-7-13-10(9)8-3-5-12-6-4-8/h3-6,9-10H,1-2,7,11H2/t9-,10-/m1/s1
InChIKeyHCFJJELKYFVCQU-NXEZZACHSA-N
XLogP1.26
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-pyridin-4-yloxan-3-amine?
The IUPAC name of (2R,3R)-2-pyridin-4-yloxan-3-amine (CID 124709129) is (2R,3R)-2-pyridin-4-yloxan-3-amine.
What is the SMILES notation for (2R,3R)-2-pyridin-4-yloxan-3-amine?
The canonical SMILES for (2R,3R)-2-pyridin-4-yloxan-3-amine is N[C@@H]1CCCO[C@@H]1c1ccncc1.
What is the InChIKey of (2R,3R)-2-pyridin-4-yloxan-3-amine?
The InChIKey is HCFJJELKYFVCQU-NXEZZACHSA-N. The full InChI is InChI=1S/C10H14N2O/c11-9-2-1-7-13-10(9)8-3-5-12-6-4-8/h3-6,9-10H,1-2,7,11H2/t9-,10-/m1/s1.
What are the key properties of (2R,3R)-2-pyridin-4-yloxan-3-amine?
(2R,3R)-2-pyridin-4-yloxan-3-amine has a molecular weight of 178.24 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-pyridin-4-yloxan-3-amine is sourced from PubChem (CID 124709129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).