methanol;4-oxo-1H-pyridine-2,6-dicarboxylic acid

C8H9NO6 — CID 139061373

IUPACmethanol;4-oxo-1H-pyridine-2,6-dicarboxylic acid
SMILESCO.O=C(O)c1cc(=O)cc(C(=O)O)[nH]1
InChIInChI=1S/C7H5NO5.CH4O/c9-3-1-4(6(10)11)8-5(2-3)7(12)13;1-2/h1-2H,(H,8,9)(H,10,11)(H,12,13);2H,1H3
InChIKeyKIXJPCJYFSBKFZ-UHFFFAOYSA-N
MW215.16 g/mol
LogP-0.62
Rot. Bonds2

About methanol;4-oxo-1H-pyridine-2,6-dicarboxylic acid

methanol;4-oxo-1H-pyridine-2,6-dicarboxylic acid (PubChem CID 139061373) has the molecular formula C8H9NO6 and a molecular weight of 215.16 g/mol. Its IUPAC name is methanol;4-oxo-1H-pyridine-2,6-dicarboxylic acid.

Molecular Properties

Compound Namemethanol;4-oxo-1H-pyridine-2,6-dicarboxylic acid
PubChem CID139061373
Molecular FormulaC8H9NO6
Molecular Weight215.16 g/mol
Exact Mass215.04
IUPAC Namemethanol;4-oxo-1H-pyridine-2,6-dicarboxylic acid
SMILESCO.O=C(O)c1cc(=O)cc(C(=O)O)[nH]1
InChIInChI=1S/C7H5NO5.CH4O/c9-3-1-4(6(10)11)8-5(2-3)7(12)13;1-2/h1-2H,(H,8,9)(H,10,11)(H,12,13);2H,1H3
InChIKeyKIXJPCJYFSBKFZ-UHFFFAOYSA-N
XLogP-0.62
TPSA127.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.16
LogP ≤ 5-0.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methanol;4-oxo-1H-pyridine-2,6-dicarboxylic acid?
The IUPAC name of methanol;4-oxo-1H-pyridine-2,6-dicarboxylic acid (CID 139061373) is methanol;4-oxo-1H-pyridine-2,6-dicarboxylic acid.
What is the SMILES notation for methanol;4-oxo-1H-pyridine-2,6-dicarboxylic acid?
The canonical SMILES for methanol;4-oxo-1H-pyridine-2,6-dicarboxylic acid is CO.O=C(O)c1cc(=O)cc(C(=O)O)[nH]1.
What is the InChIKey of methanol;4-oxo-1H-pyridine-2,6-dicarboxylic acid?
The InChIKey is KIXJPCJYFSBKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO5.CH4O/c9-3-1-4(6(10)11)8-5(2-3)7(12)13;1-2/h1-2H,(H,8,9)(H,10,11)(H,12,13);2H,1H3.
What are the key properties of methanol;4-oxo-1H-pyridine-2,6-dicarboxylic acid?
methanol;4-oxo-1H-pyridine-2,6-dicarboxylic acid has a molecular weight of 215.16 g/mol, XLogP of -0.62, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;4-oxo-1H-pyridine-2,6-dicarboxylic acid is sourced from PubChem (CID 139061373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).