(2-oxo-1H-pyridin-3-yl) hydrogen carbonate

C6H5NO4 — CID 89413018

IUPAC(2-oxo-1H-pyridin-3-yl) hydrogen carbonate
SMILESO=C(O)Oc1ccc[nH]c1=O
InChIInChI=1S/C6H5NO4/c8-5-4(11-6(9)10)2-1-3-7-5/h1-3H,(H,7,8)(H,9,10)
InChIKeyYZAZLZIVJJRFKP-UHFFFAOYSA-N
MW155.11 g/mol
LogP0.43
Rot. Bonds1

About (2-oxo-1H-pyridin-3-yl) hydrogen carbonate

(2-oxo-1H-pyridin-3-yl) hydrogen carbonate (PubChem CID 89413018) has the molecular formula C6H5NO4 and a molecular weight of 155.11 g/mol. Its IUPAC name is (2-oxo-1H-pyridin-3-yl) hydrogen carbonate.

Molecular Properties

Compound Name(2-oxo-1H-pyridin-3-yl) hydrogen carbonate
PubChem CID89413018
Molecular FormulaC6H5NO4
Molecular Weight155.11 g/mol
Exact Mass155.02
IUPAC Name(2-oxo-1H-pyridin-3-yl) hydrogen carbonate
SMILESO=C(O)Oc1ccc[nH]c1=O
InChIInChI=1S/C6H5NO4/c8-5-4(11-6(9)10)2-1-3-7-5/h1-3H,(H,7,8)(H,9,10)
InChIKeyYZAZLZIVJJRFKP-UHFFFAOYSA-N
XLogP0.43
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.11
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-1H-pyridin-3-yl) hydrogen carbonate?
The IUPAC name of (2-oxo-1H-pyridin-3-yl) hydrogen carbonate (CID 89413018) is (2-oxo-1H-pyridin-3-yl) hydrogen carbonate.
What is the SMILES notation for (2-oxo-1H-pyridin-3-yl) hydrogen carbonate?
The canonical SMILES for (2-oxo-1H-pyridin-3-yl) hydrogen carbonate is O=C(O)Oc1ccc[nH]c1=O.
What is the InChIKey of (2-oxo-1H-pyridin-3-yl) hydrogen carbonate?
The InChIKey is YZAZLZIVJJRFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO4/c8-5-4(11-6(9)10)2-1-3-7-5/h1-3H,(H,7,8)(H,9,10).
What are the key properties of (2-oxo-1H-pyridin-3-yl) hydrogen carbonate?
(2-oxo-1H-pyridin-3-yl) hydrogen carbonate has a molecular weight of 155.11 g/mol, XLogP of 0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1H-pyridin-3-yl) hydrogen carbonate is sourced from PubChem (CID 89413018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).