3-deuteriooxypyridine

C5H5NO — CID 138396031

IUPAC3-deuteriooxypyridine
SMILES[2H]Oc1cccnc1
InChIInChI=1S/C5H5NO/c7-5-2-1-3-6-4-5/h1-4,7H/i/hD
InChIKeyGRFNBEZIAWKNCO-DYCDLGHISA-N
MW96.11 g/mol
LogP0.79
Rot. Bonds1

About 3-deuteriooxypyridine

3-deuteriooxypyridine (PubChem CID 138396031) has the molecular formula C5H5NO and a molecular weight of 96.11 g/mol. Its IUPAC name is 3-deuteriooxypyridine.

Molecular Properties

Compound Name3-deuteriooxypyridine
PubChem CID138396031
Molecular FormulaC5H5NO
Molecular Weight96.11 g/mol
Exact Mass96.04
IUPAC Name3-deuteriooxypyridine
SMILES[2H]Oc1cccnc1
InChIInChI=1S/C5H5NO/c7-5-2-1-3-6-4-5/h1-4,7H/i/hD
InChIKeyGRFNBEZIAWKNCO-DYCDLGHISA-N
XLogP0.79
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.11
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-deuteriooxypyridine?
The IUPAC name of 3-deuteriooxypyridine (CID 138396031) is 3-deuteriooxypyridine.
What is the SMILES notation for 3-deuteriooxypyridine?
The canonical SMILES for 3-deuteriooxypyridine is [2H]Oc1cccnc1.
What is the InChIKey of 3-deuteriooxypyridine?
The InChIKey is GRFNBEZIAWKNCO-DYCDLGHISA-N. The full InChI is InChI=1S/C5H5NO/c7-5-2-1-3-6-4-5/h1-4,7H/i/hD.
What are the key properties of 3-deuteriooxypyridine?
3-deuteriooxypyridine has a molecular weight of 96.11 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-deuteriooxypyridine is sourced from PubChem (CID 138396031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).