2-hydroxy-6-oxo-(2,3,4,5,6-13C5)1H-pyridine-4-carboxylic acid

C6H5NO4 — CID 71309692

IUPAC2-hydroxy-6-oxo-(2,3,4,5,6-13C5)1H-pyridine-4-carboxylic acid
SMILESO=[13C](O)[13c]1[13cH][13c](O)[nH][13c](=O)[13cH]1
InChIInChI=1S/C6H5NO4/c8-4-1-3(6(10)11)2-5(9)7-4/h1-2H,(H,10,11)(H2,7,8,9)/i1+1,2+1,3+1,4+1,5+1,6+1
InChIKeyCSGQJHQYWJLPKY-IDEBNGHGSA-N
MW161.06 g/mol
LogP-0.22
Rot. Bonds1

About 2-hydroxy-6-oxo-(2,3,4,5,6-13C5)1H-pyridine-4-carboxylic acid

2-hydroxy-6-oxo-(2,3,4,5,6-13C5)1H-pyridine-4-carboxylic acid (PubChem CID 71309692) has the molecular formula C6H5NO4 and a molecular weight of 161.06 g/mol. Its IUPAC name is 2-hydroxy-6-oxo-(2,3,4,5,6-13C5)1H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-hydroxy-6-oxo-(2,3,4,5,6-13C5)1H-pyridine-4-carboxylic acid
PubChem CID71309692
Molecular FormulaC6H5NO4
Molecular Weight161.06 g/mol
Exact Mass161.04
IUPAC Name2-hydroxy-6-oxo-(2,3,4,5,6-13C5)1H-pyridine-4-carboxylic acid
SMILESO=[13C](O)[13c]1[13cH][13c](O)[nH][13c](=O)[13cH]1
InChIInChI=1S/C6H5NO4/c8-4-1-3(6(10)11)2-5(9)7-4/h1-2H,(H,10,11)(H2,7,8,9)/i1+1,2+1,3+1,4+1,5+1,6+1
InChIKeyCSGQJHQYWJLPKY-IDEBNGHGSA-N
XLogP-0.22
TPSA90.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.06
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Citrazinic Acid
CID 7425
6-Hydroxy-4-carboxy-2-pyridone
CID 6925657
6-Chloro-2-oxo-1,2-dihydropyridine-4-carboxylic acid
CID 236980
6-Hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 334847
1,2-Dihydroxy-6-oxo-pyridine-4-carboxylic acid
CID 19377960
2,6-Dihydroxynicotinic acid
CID 135526603
2-Bromo-6-hydroxypyridine-4-carboxylic acid
CID 72215699
2,3,6-Trihydroxyisonicotinate
CID 15944658
2,6-Dihydroxynicotinate
CID 135853911
2,6-Dihydroxy-5-fluoronicotinic acid
CID 135757331
3-fluoro-2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid
CID 152387759
Methyl 2,6-dihydroxyisonicotinate
CID 8119591

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-oxo-(2,3,4,5,6-13C5)1H-pyridine-4-carboxylic acid?
The IUPAC name of 2-hydroxy-6-oxo-(2,3,4,5,6-13C5)1H-pyridine-4-carboxylic acid (CID 71309692) is 2-hydroxy-6-oxo-(2,3,4,5,6-13C5)1H-pyridine-4-carboxylic acid.
What is the SMILES notation for 2-hydroxy-6-oxo-(2,3,4,5,6-13C5)1H-pyridine-4-carboxylic acid?
The canonical SMILES for 2-hydroxy-6-oxo-(2,3,4,5,6-13C5)1H-pyridine-4-carboxylic acid is O=[13C](O)[13c]1[13cH][13c](O)[nH][13c](=O)[13cH]1.
What is the InChIKey of 2-hydroxy-6-oxo-(2,3,4,5,6-13C5)1H-pyridine-4-carboxylic acid?
The InChIKey is CSGQJHQYWJLPKY-IDEBNGHGSA-N. The full InChI is InChI=1S/C6H5NO4/c8-4-1-3(6(10)11)2-5(9)7-4/h1-2H,(H,10,11)(H2,7,8,9)/i1+1,2+1,3+1,4+1,5+1,6+1.
What are the key properties of 2-hydroxy-6-oxo-(2,3,4,5,6-13C5)1H-pyridine-4-carboxylic acid?
2-hydroxy-6-oxo-(2,3,4,5,6-13C5)1H-pyridine-4-carboxylic acid has a molecular weight of 161.06 g/mol, XLogP of -0.22, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-oxo-(2,3,4,5,6-13C5)1H-pyridine-4-carboxylic acid is sourced from PubChem (CID 71309692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).