2-hydroxypyridin-1-ium-1-carboxylic acid

C6H6NO3+ — CID 69111890

IUPAC2-hydroxypyridin-1-ium-1-carboxylic acid
SMILESO=C(O)[n+]1ccccc1O
InChIInChI=1S/C6H5NO3/c8-5-3-1-2-4-7(5)6(9)10/h1-4H,(H,9,10)/p+1
InChIKeyYSLIPUSJNFIFAB-UHFFFAOYSA-O
MW140.12 g/mol
LogP0.21
Rot. Bonds

About 2-hydroxypyridin-1-ium-1-carboxylic acid

2-hydroxypyridin-1-ium-1-carboxylic acid (PubChem CID 69111890) has the molecular formula C6H6NO3+ and a molecular weight of 140.12 g/mol. Its IUPAC name is 2-hydroxypyridin-1-ium-1-carboxylic acid.

Molecular Properties

Compound Name2-hydroxypyridin-1-ium-1-carboxylic acid
PubChem CID69111890
Molecular FormulaC6H6NO3+
Molecular Weight140.12 g/mol
Exact Mass140.03
IUPAC Name2-hydroxypyridin-1-ium-1-carboxylic acid
SMILESO=C(O)[n+]1ccccc1O
InChIInChI=1S/C6H5NO3/c8-5-3-1-2-4-7(5)6(9)10/h1-4H,(H,9,10)/p+1
InChIKeyYSLIPUSJNFIFAB-UHFFFAOYSA-O
XLogP0.21
TPSA61.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.12
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_het_A(9)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxypyridin-1-ium-1-carboxylic acid?
The IUPAC name of 2-hydroxypyridin-1-ium-1-carboxylic acid (CID 69111890) is 2-hydroxypyridin-1-ium-1-carboxylic acid.
What is the SMILES notation for 2-hydroxypyridin-1-ium-1-carboxylic acid?
The canonical SMILES for 2-hydroxypyridin-1-ium-1-carboxylic acid is O=C(O)[n+]1ccccc1O.
What is the InChIKey of 2-hydroxypyridin-1-ium-1-carboxylic acid?
The InChIKey is YSLIPUSJNFIFAB-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H5NO3/c8-5-3-1-2-4-7(5)6(9)10/h1-4H,(H,9,10)/p+1.
What are the key properties of 2-hydroxypyridin-1-ium-1-carboxylic acid?
2-hydroxypyridin-1-ium-1-carboxylic acid has a molecular weight of 140.12 g/mol, XLogP of 0.21, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypyridin-1-ium-1-carboxylic acid is sourced from PubChem (CID 69111890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).