5-carboxypyridin-3-olate

C6H4NO3- — CID 54708826

IUPAC5-carboxypyridin-3-olate
SMILESO=C(O)c1cncc([O-])c1
InChIInChI=1S/C6H5NO3/c8-5-1-4(6(9)10)2-7-3-5/h1-3,8H,(H,9,10)/p-1
InChIKeyATTDCVLRGFEHEO-UHFFFAOYSA-M
MW138.10 g/mol
LogP-0.15
Rot. Bonds1

About 5-carboxypyridin-3-olate

5-carboxypyridin-3-olate (PubChem CID 54708826) has the molecular formula C6H4NO3- and a molecular weight of 138.10 g/mol. Its IUPAC name is 5-carboxypyridin-3-olate.

Molecular Properties

Compound Name5-carboxypyridin-3-olate
PubChem CID54708826
Molecular FormulaC6H4NO3-
Molecular Weight138.10 g/mol
Exact Mass138.02
IUPAC Name5-carboxypyridin-3-olate
SMILESO=C(O)c1cncc([O-])c1
InChIInChI=1S/C6H5NO3/c8-5-1-4(6(9)10)2-7-3-5/h1-3,8H,(H,9,10)/p-1
InChIKeyATTDCVLRGFEHEO-UHFFFAOYSA-M
XLogP-0.15
TPSA73.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.10
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-carboxypyridin-3-olate?
The IUPAC name of 5-carboxypyridin-3-olate (CID 54708826) is 5-carboxypyridin-3-olate.
What is the SMILES notation for 5-carboxypyridin-3-olate?
The canonical SMILES for 5-carboxypyridin-3-olate is O=C(O)c1cncc([O-])c1.
What is the InChIKey of 5-carboxypyridin-3-olate?
The InChIKey is ATTDCVLRGFEHEO-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5NO3/c8-5-1-4(6(9)10)2-7-3-5/h1-3,8H,(H,9,10)/p-1.
What are the key properties of 5-carboxypyridin-3-olate?
5-carboxypyridin-3-olate has a molecular weight of 138.10 g/mol, XLogP of -0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carboxypyridin-3-olate is sourced from PubChem (CID 54708826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).