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4-(2-amino-4-pyridinyl)oxan-4-ol

C10H14N2O2 — CID 155349774

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-(2-amino-4-pyridinyl)oxan-4-ol
SMILESNc1cc(C2(O)CCOCC2)ccn1
InChIInChI=1S/C10H14N2O2/c11-9-7-8(1-4-12-9)10(13)2-5-14-6-3-10/h1,4,7,13H,2-3,5-6H2,(H2,11,12)
InChIKeyIFPHNEZPOUGPOR-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.66
Rot. Bonds1

About 4-(2-amino-4-pyridinyl)oxan-4-ol

4-(2-amino-4-pyridinyl)oxan-4-ol (PubChem CID 155349774) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4-(2-amino-4-pyridinyl)oxan-4-ol.

Molecular Properties

Compound Name4-(2-amino-4-pyridinyl)oxan-4-ol
PubChem CID155349774
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name4-(2-amino-4-pyridinyl)oxan-4-ol
SMILESNc1cc(C2(O)CCOCC2)ccn1
InChIInChI=1S/C10H14N2O2/c11-9-7-8(1-4-12-9)10(13)2-5-14-6-3-10/h1,4,7,13H,2-3,5-6H2,(H2,11,12)
InChIKeyIFPHNEZPOUGPOR-UHFFFAOYSA-N
XLogP0.66
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-pyridinyl)oxan-4-ol?
The IUPAC name of 4-(2-amino-4-pyridinyl)oxan-4-ol (CID 155349774) is 4-(2-amino-4-pyridinyl)oxan-4-ol.
What is the SMILES notation for 4-(2-amino-4-pyridinyl)oxan-4-ol?
The canonical SMILES for 4-(2-amino-4-pyridinyl)oxan-4-ol is Nc1cc(C2(O)CCOCC2)ccn1.
What is the InChIKey of 4-(2-amino-4-pyridinyl)oxan-4-ol?
The InChIKey is IFPHNEZPOUGPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c11-9-7-8(1-4-12-9)10(13)2-5-14-6-3-10/h1,4,7,13H,2-3,5-6H2,(H2,11,12).
What are the key properties of 4-(2-amino-4-pyridinyl)oxan-4-ol?
4-(2-amino-4-pyridinyl)oxan-4-ol has a molecular weight of 194.23 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-pyridinyl)oxan-4-ol is sourced from PubChem (CID 155349774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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