(5-hydroxy-2-pyridinyl) hydrogen carbonate

C6H5NO4 — CID 67072621

IUPAC(5-hydroxy-2-pyridinyl) hydrogen carbonate
SMILESO=C(O)Oc1ccc(O)cn1
InChIInChI=1S/C6H5NO4/c8-4-1-2-5(7-3-4)11-6(9)10/h1-3,8H,(H,9,10)
InChIKeyPKLTVAZCEUEDKH-UHFFFAOYSA-N
MW155.11 g/mol
LogP0.84
Rot. Bonds1

About (5-hydroxy-2-pyridinyl) hydrogen carbonate

(5-hydroxy-2-pyridinyl) hydrogen carbonate (PubChem CID 67072621) has the molecular formula C6H5NO4 and a molecular weight of 155.11 g/mol. Its IUPAC name is (5-hydroxy-2-pyridinyl) hydrogen carbonate.

Molecular Properties

Compound Name(5-hydroxy-2-pyridinyl) hydrogen carbonate
PubChem CID67072621
Molecular FormulaC6H5NO4
Molecular Weight155.11 g/mol
Exact Mass155.02
IUPAC Name(5-hydroxy-2-pyridinyl) hydrogen carbonate
SMILESO=C(O)Oc1ccc(O)cn1
InChIInChI=1S/C6H5NO4/c8-4-1-2-5(7-3-4)11-6(9)10/h1-3,8H,(H,9,10)
InChIKeyPKLTVAZCEUEDKH-UHFFFAOYSA-N
XLogP0.84
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.11
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-2-pyridinyl) hydrogen carbonate?
The IUPAC name of (5-hydroxy-2-pyridinyl) hydrogen carbonate (CID 67072621) is (5-hydroxy-2-pyridinyl) hydrogen carbonate.
What is the SMILES notation for (5-hydroxy-2-pyridinyl) hydrogen carbonate?
The canonical SMILES for (5-hydroxy-2-pyridinyl) hydrogen carbonate is O=C(O)Oc1ccc(O)cn1.
What is the InChIKey of (5-hydroxy-2-pyridinyl) hydrogen carbonate?
The InChIKey is PKLTVAZCEUEDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO4/c8-4-1-2-5(7-3-4)11-6(9)10/h1-3,8H,(H,9,10).
What are the key properties of (5-hydroxy-2-pyridinyl) hydrogen carbonate?
(5-hydroxy-2-pyridinyl) hydrogen carbonate has a molecular weight of 155.11 g/mol, XLogP of 0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-2-pyridinyl) hydrogen carbonate is sourced from PubChem (CID 67072621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).