ethane;2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid

C8H11NO4 — CID 143103214

IUPACethane;2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid
SMILESCC.O=C(O)c1cc(O)[nH]c(=O)c1
InChIInChI=1S/C6H5NO4.C2H6/c8-4-1-3(6(10)11)2-5(9)7-4;1-2/h1-2H,(H,10,11)(H2,7,8,9);1-2H3
InChIKeyCYGOTSCAXFHCQM-UHFFFAOYSA-N
MW185.18 g/mol
LogP0.80
Rot. Bonds1

About ethane;2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid

ethane;2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid (PubChem CID 143103214) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is ethane;2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Nameethane;2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid
PubChem CID143103214
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Nameethane;2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid
SMILESCC.O=C(O)c1cc(O)[nH]c(=O)c1
InChIInChI=1S/C6H5NO4.C2H6/c8-4-1-3(6(10)11)2-5(9)7-4;1-2/h1-2H,(H,10,11)(H2,7,8,9);1-2H3
InChIKeyCYGOTSCAXFHCQM-UHFFFAOYSA-N
XLogP0.80
TPSA90.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 50.80
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-2-oxo(~13~C_5_)-1,2-dihydropyridine-4-(~13~C)carboxylic acid
CID 71309692
2-Bromo-6-hydroxypyridine-4-carboxylic acid
CID 72215699
3-fluoro-2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid
CID 152387759
Methyl 2,6-dihydroxyisonicotinate
CID 8119591
2-Fluoro-6-hydroxyisonicotinic acid
CID 72212931
2-methylpropyl 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate
CID 252574
ethyl 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate
CID 17891554
Methyl 2-hydroxy-6-methoxyisonicotinate
CID 18466852
2-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)oxy-6-oxo-1H-pyridine-4-carboxylic acid
CID 53864079

Frequently Asked Questions

What is the IUPAC name of ethane;2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid?
The IUPAC name of ethane;2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid (CID 143103214) is ethane;2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid.
What is the SMILES notation for ethane;2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid?
The canonical SMILES for ethane;2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid is CC.O=C(O)c1cc(O)[nH]c(=O)c1.
What is the InChIKey of ethane;2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid?
The InChIKey is CYGOTSCAXFHCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO4.C2H6/c8-4-1-3(6(10)11)2-5(9)7-4;1-2/h1-2H,(H,10,11)(H2,7,8,9);1-2H3.
What are the key properties of ethane;2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid?
ethane;2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid has a molecular weight of 185.18 g/mol, XLogP of 0.80, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid is sourced from PubChem (CID 143103214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).