2-hydroxy-3-nitroso-6-oxo-1H-pyridine-4-carboxylic acid;3-hydroxy-4-nitroso-1H-pyridin-2-one

C11H8N4O8 — CID 158570543

IUPAC2-hydroxy-3-nitroso-6-oxo-1H-pyridine-4-carboxylic acid;3-hydroxy-4-nitroso-1H-pyridin-2-one
SMILESO=Nc1c(C(=O)O)cc(=O)[nH]c1O.O=Nc1cc[nH]c(=O)c1O
InChIInChI=1S/C6H4N2O5.C5H4N2O3/c9-3-1-2(6(11)12)4(8-13)5(10)7-3;8-4-3(7-10)1-2-6-5(4)9/h1H,(H,11,12)(H2,7,9,10);1-2,8H,(H,6,9)
InChIKeyHSAGLGUNDFXQMQ-UHFFFAOYSA-N
MW324.21 g/mol
LogP0.65
Rot. Bonds3

About 2-hydroxy-3-nitroso-6-oxo-1H-pyridine-4-carboxylic acid;3-hydroxy-4-nitroso-1H-pyridin-2-one

2-hydroxy-3-nitroso-6-oxo-1H-pyridine-4-carboxylic acid;3-hydroxy-4-nitroso-1H-pyridin-2-one (PubChem CID 158570543) has the molecular formula C11H8N4O8 and a molecular weight of 324.21 g/mol. Its IUPAC name is 2-hydroxy-3-nitroso-6-oxo-1H-pyridine-4-carboxylic acid;3-hydroxy-4-nitroso-1H-pyridin-2-one.

Molecular Properties

Compound Name2-hydroxy-3-nitroso-6-oxo-1H-pyridine-4-carboxylic acid;3-hydroxy-4-nitroso-1H-pyridin-2-one
PubChem CID158570543
Molecular FormulaC11H8N4O8
Molecular Weight324.21 g/mol
Exact Mass324.03
IUPAC Name2-hydroxy-3-nitroso-6-oxo-1H-pyridine-4-carboxylic acid;3-hydroxy-4-nitroso-1H-pyridin-2-one
SMILESO=Nc1c(C(=O)O)cc(=O)[nH]c1O.O=Nc1cc[nH]c(=O)c1O
InChIInChI=1S/C6H4N2O5.C5H4N2O3/c9-3-1-2(6(11)12)4(8-13)5(10)7-3;8-4-3(7-10)1-2-6-5(4)9/h1H,(H,11,12)(H2,7,9,10);1-2,8H,(H,6,9)
InChIKeyHSAGLGUNDFXQMQ-UHFFFAOYSA-N
XLogP0.65
TPSA202.34 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 50.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 2-hydroxy-3-nitroso-6-oxo-1H-pyridine-4-carboxylic acid;3-hydroxy-4-nitroso-1H-pyridin-2-one with MolForge

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Related Compounds

7-hydroxy-2-oxo-1H-quinoline-4-carboxylic acid
CID 115023788
5-chloro-2-hydroxy-3-nitroso-1H-indole-7-carboxylic acid
CID 137058233
3-hydroxy-2-oxo-1H-pyridine-4-carboxamide
CID 67593311
2-chloro-4-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]benzoic acid
CID 4764240
2-nitroso-5-sulfanylbenzoic acid
CID 87490607
4-oxo-1,5-dihydropyrrolo[3,2-c]pyridine-3-carboxylic acid
CID 53412873
2-oxo-3-phenyl-1H-pyridine-4-carboxylic acid
CID 46314978
3,6-dioxo-1,2-dihydropyridazine-4-carboxylic acid
CID 117102523
3-tert-butyl-2-oxo-1H-pyridine-4-carboxylic acid
CID 82400523
3-cyano-2-oxo-1H-pyridine-4-carboxylic acid
CID 82415014
2-oxo-3-(2,3,4,5,6-pentachlorophenyl)-1H-pyridine-4-carboxylic acid
CID 133092135
5,8-dimethyl-2-oxo-1H-quinoline-4-carboxylic acid
CID 62038616

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-nitroso-6-oxo-1H-pyridine-4-carboxylic acid;3-hydroxy-4-nitroso-1H-pyridin-2-one?
The IUPAC name of 2-hydroxy-3-nitroso-6-oxo-1H-pyridine-4-carboxylic acid;3-hydroxy-4-nitroso-1H-pyridin-2-one (CID 158570543) is 2-hydroxy-3-nitroso-6-oxo-1H-pyridine-4-carboxylic acid;3-hydroxy-4-nitroso-1H-pyridin-2-one.
What is the SMILES notation for 2-hydroxy-3-nitroso-6-oxo-1H-pyridine-4-carboxylic acid;3-hydroxy-4-nitroso-1H-pyridin-2-one?
The canonical SMILES for 2-hydroxy-3-nitroso-6-oxo-1H-pyridine-4-carboxylic acid;3-hydroxy-4-nitroso-1H-pyridin-2-one is O=Nc1c(C(=O)O)cc(=O)[nH]c1O.O=Nc1cc[nH]c(=O)c1O.
What is the InChIKey of 2-hydroxy-3-nitroso-6-oxo-1H-pyridine-4-carboxylic acid;3-hydroxy-4-nitroso-1H-pyridin-2-one?
The InChIKey is HSAGLGUNDFXQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O5.C5H4N2O3/c9-3-1-2(6(11)12)4(8-13)5(10)7-3;8-4-3(7-10)1-2-6-5(4)9/h1H,(H,11,12)(H2,7,9,10);1-2,8H,(H,6,9).
What are the key properties of 2-hydroxy-3-nitroso-6-oxo-1H-pyridine-4-carboxylic acid;3-hydroxy-4-nitroso-1H-pyridin-2-one?
2-hydroxy-3-nitroso-6-oxo-1H-pyridine-4-carboxylic acid;3-hydroxy-4-nitroso-1H-pyridin-2-one has a molecular weight of 324.21 g/mol, XLogP of 0.65, 3 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-nitroso-6-oxo-1H-pyridine-4-carboxylic acid;3-hydroxy-4-nitroso-1H-pyridin-2-one is sourced from PubChem (CID 158570543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).