4-carboxy-6-hydroxy-2-oxo-1H-pyridin-3-olate

C6H4NO5- — CID 15944658

IUPAC4-carboxy-6-hydroxy-2-oxo-1H-pyridin-3-olate
SMILESO=C(O)c1cc(O)[nH]c(=O)c1[O-]
InChIInChI=1S/C6H5NO5/c8-3-1-2(6(11)12)4(9)5(10)7-3/h1,9H,(H,11,12)(H2,7,8,10)/p-1
InChIKeyPBDMREJMHMSSCD-UHFFFAOYSA-M
MW170.10 g/mol
LogP-1.15
Rot. Bonds1

About 4-carboxy-6-hydroxy-2-oxo-1H-pyridin-3-olate

4-carboxy-6-hydroxy-2-oxo-1H-pyridin-3-olate (PubChem CID 15944658) has the molecular formula C6H4NO5- and a molecular weight of 170.10 g/mol. Its IUPAC name is 4-carboxy-6-hydroxy-2-oxo-1H-pyridin-3-olate.

Molecular Properties

Compound Name4-carboxy-6-hydroxy-2-oxo-1H-pyridin-3-olate
PubChem CID15944658
Molecular FormulaC6H4NO5-
Molecular Weight170.10 g/mol
Exact Mass170.01
IUPAC Name4-carboxy-6-hydroxy-2-oxo-1H-pyridin-3-olate
SMILESO=C(O)c1cc(O)[nH]c(=O)c1[O-]
InChIInChI=1S/C6H5NO5/c8-3-1-2(6(11)12)4(9)5(10)7-3/h1,9H,(H,11,12)(H2,7,8,10)/p-1
InChIKeyPBDMREJMHMSSCD-UHFFFAOYSA-M
XLogP-1.15
TPSA113.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.10
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-carboxy-6-hydroxy-2-oxo-1H-pyridin-3-olate?
The IUPAC name of 4-carboxy-6-hydroxy-2-oxo-1H-pyridin-3-olate (CID 15944658) is 4-carboxy-6-hydroxy-2-oxo-1H-pyridin-3-olate.
What is the SMILES notation for 4-carboxy-6-hydroxy-2-oxo-1H-pyridin-3-olate?
The canonical SMILES for 4-carboxy-6-hydroxy-2-oxo-1H-pyridin-3-olate is O=C(O)c1cc(O)[nH]c(=O)c1[O-].
What is the InChIKey of 4-carboxy-6-hydroxy-2-oxo-1H-pyridin-3-olate?
The InChIKey is PBDMREJMHMSSCD-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5NO5/c8-3-1-2(6(11)12)4(9)5(10)7-3/h1,9H,(H,11,12)(H2,7,8,10)/p-1.
What are the key properties of 4-carboxy-6-hydroxy-2-oxo-1H-pyridin-3-olate?
4-carboxy-6-hydroxy-2-oxo-1H-pyridin-3-olate has a molecular weight of 170.10 g/mol, XLogP of -1.15, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carboxy-6-hydroxy-2-oxo-1H-pyridin-3-olate is sourced from PubChem (CID 15944658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).