carbon dioxide;5-hydroxy-6-methylpyridine-3-carboxylic acid;5-hydroxy-6-methylpyridine-3,4-dicarboxylic acid

C16H14N2O10 — CID 162194008

IUPACcarbon dioxide;5-hydroxy-6-methylpyridine-3-carboxylic acid;5-hydroxy-6-methylpyridine-3,4-dicarboxylic acid
SMILESCc1ncc(C(=O)O)c(C(=O)O)c1O.Cc1ncc(C(=O)O)cc1O.O=C=O
InChIInChI=1S/C8H7NO5.C7H7NO3.CO2/c1-3-6(10)5(8(13)14)4(2-9-3)7(11)12;1-4-6(9)2-5(3-8-4)7(10)11;2-1-3/h2,10H,1H3,(H,11,12)(H,13,14);2-3,9H,1H3,(H,10,11);
InChIKeyZQRWEMISQHHFAO-UHFFFAOYSA-N
MW394.29 g/mol
LogP0.70
Rot. Bonds3

About carbon dioxide;5-hydroxy-6-methylpyridine-3-carboxylic acid;5-hydroxy-6-methylpyridine-3,4-dicarboxylic acid

carbon dioxide;5-hydroxy-6-methylpyridine-3-carboxylic acid;5-hydroxy-6-methylpyridine-3,4-dicarboxylic acid (PubChem CID 162194008) has the molecular formula C16H14N2O10 and a molecular weight of 394.29 g/mol. Its IUPAC name is carbon dioxide;5-hydroxy-6-methylpyridine-3-carboxylic acid;5-hydroxy-6-methylpyridine-3,4-dicarboxylic acid.

Molecular Properties

Compound Namecarbon dioxide;5-hydroxy-6-methylpyridine-3-carboxylic acid;5-hydroxy-6-methylpyridine-3,4-dicarboxylic acid
PubChem CID162194008
Molecular FormulaC16H14N2O10
Molecular Weight394.29 g/mol
Exact Mass394.06
IUPAC Namecarbon dioxide;5-hydroxy-6-methylpyridine-3-carboxylic acid;5-hydroxy-6-methylpyridine-3,4-dicarboxylic acid
SMILESCc1ncc(C(=O)O)c(C(=O)O)c1O.Cc1ncc(C(=O)O)cc1O.O=C=O
InChIInChI=1S/C8H7NO5.C7H7NO3.CO2/c1-3-6(10)5(8(13)14)4(2-9-3)7(11)12;1-4-6(9)2-5(3-8-4)7(10)11;2-1-3/h2,10H,1H3,(H,11,12)(H,13,14);2-3,9H,1H3,(H,10,11);
InChIKeyZQRWEMISQHHFAO-UHFFFAOYSA-N
XLogP0.70
TPSA212.28 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.29
LogP ≤ 50.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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Related Compounds

5-hydroxy-6-methylpyridine-3,4-dicarboxylic acid;hydrochloride
CID 159409477
2-methylpyridine-3,5-dicarboxylic acid;dihydrochloride
CID 175154002
ethyl 5-hydroxy-6-methylpyridine-3-carboxylate
CID 15619972
3-hydroxy-2-methyl-5-phenylpyridine-4-carboxylic acid
CID 82391092
6-methyl-5-methylsulfonylpyridine-3-carboxylic acid
CID 163300955
3-(difluoromethyl)-5-hydroxy-2-methylpyridine-4-carboxylic acid
CID 130083946
quinoline-3,5,7,8-tetracarboxylic acid
CID 22158765
1-methyl-5,6,8,9-tetrahydrooxepino[4,5-c]pyridine-4-carboxylic acid
CID 96616855
3-hydroxy-2-methyl-5-pyridin-2-ylpyridine-4-carboxylic acid
CID 96600804
3-hydroxy-2-methyl-6-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 130112262
4-ethynyl-6-methylpyridine-3-carboxylic acid
CID 74888677
3,4,5-trihydroxybenzoic acid
CID 370

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;5-hydroxy-6-methylpyridine-3-carboxylic acid;5-hydroxy-6-methylpyridine-3,4-dicarboxylic acid?
The IUPAC name of carbon dioxide;5-hydroxy-6-methylpyridine-3-carboxylic acid;5-hydroxy-6-methylpyridine-3,4-dicarboxylic acid (CID 162194008) is carbon dioxide;5-hydroxy-6-methylpyridine-3-carboxylic acid;5-hydroxy-6-methylpyridine-3,4-dicarboxylic acid.
What is the SMILES notation for carbon dioxide;5-hydroxy-6-methylpyridine-3-carboxylic acid;5-hydroxy-6-methylpyridine-3,4-dicarboxylic acid?
The canonical SMILES for carbon dioxide;5-hydroxy-6-methylpyridine-3-carboxylic acid;5-hydroxy-6-methylpyridine-3,4-dicarboxylic acid is Cc1ncc(C(=O)O)c(C(=O)O)c1O.Cc1ncc(C(=O)O)cc1O.O=C=O.
What is the InChIKey of carbon dioxide;5-hydroxy-6-methylpyridine-3-carboxylic acid;5-hydroxy-6-methylpyridine-3,4-dicarboxylic acid?
The InChIKey is ZQRWEMISQHHFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO5.C7H7NO3.CO2/c1-3-6(10)5(8(13)14)4(2-9-3)7(11)12;1-4-6(9)2-5(3-8-4)7(10)11;2-1-3/h2,10H,1H3,(H,11,12)(H,13,14);2-3,9H,1H3,(H,10,11);.
What are the key properties of carbon dioxide;5-hydroxy-6-methylpyridine-3-carboxylic acid;5-hydroxy-6-methylpyridine-3,4-dicarboxylic acid?
carbon dioxide;5-hydroxy-6-methylpyridine-3-carboxylic acid;5-hydroxy-6-methylpyridine-3,4-dicarboxylic acid has a molecular weight of 394.29 g/mol, XLogP of 0.70, 3 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;5-hydroxy-6-methylpyridine-3-carboxylic acid;5-hydroxy-6-methylpyridine-3,4-dicarboxylic acid is sourced from PubChem (CID 162194008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).