4-hydroxy-1,6-dimethyl-3-nitropyridin-2-one

C7H8N2O4 — CID 54708954

IUPAC4-hydroxy-1,6-dimethyl-3-nitropyridin-2-one
SMILESCc1cc(O)c([N+](=O)[O-])c(=O)n1C
InChIInChI=1S/C7H8N2O4/c1-4-3-5(10)6(9(12)13)7(11)8(4)2/h3,10H,1-2H3
InChIKeyKVSGLQJHGFHBTA-UHFFFAOYSA-N
MW184.15 g/mol
LogP0.31
Rot. Bonds1

About 4-hydroxy-1,6-dimethyl-3-nitropyridin-2-one

4-hydroxy-1,6-dimethyl-3-nitropyridin-2-one (PubChem CID 54708954) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is 4-hydroxy-1,6-dimethyl-3-nitropyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-1,6-dimethyl-3-nitropyridin-2-one
PubChem CID54708954
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Name4-hydroxy-1,6-dimethyl-3-nitropyridin-2-one
SMILESCc1cc(O)c([N+](=O)[O-])c(=O)n1C
InChIInChI=1S/C7H8N2O4/c1-4-3-5(10)6(9(12)13)7(11)8(4)2/h3,10H,1-2H3
InChIKeyKVSGLQJHGFHBTA-UHFFFAOYSA-N
XLogP0.31
TPSA85.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-butyl-4-hydroxy-1-methyl-3-nitropyridin-2-one
CID 174322970
2,5-dinitrobenzene-1,3-diol
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4-hydroxy-1-methyl-3-nitro-6-phenylquinolin-2-one
CID 54696302
1,2,6-trimethyl-3,5-dinitropyridin-4-one
CID 125114982
2,3-dimethyl-4-nitro-1,2-oxazol-5-one
CID 12793037
7-hydroxy-4-methyl-6-nitrothieno[3,2-b]pyridin-5-one
CID 54714003
CID 158436799
CID 158436799
5-amino-2,3,4-trinitrophenol
CID 174982117
3-(4-bromophenyl)sulfanyl-4-hydroxy-1,6-dimethylpyridin-2-one
CID 135033848
CID 175833655
CID 175833655
CID 159716735
CID 159716735
4-hydroxy-1,6-dimethyl-3-(phenyliminomethyl)pyridin-2-one
CID 137227914

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,6-dimethyl-3-nitropyridin-2-one?
The IUPAC name of 4-hydroxy-1,6-dimethyl-3-nitropyridin-2-one (CID 54708954) is 4-hydroxy-1,6-dimethyl-3-nitropyridin-2-one.
What is the SMILES notation for 4-hydroxy-1,6-dimethyl-3-nitropyridin-2-one?
The canonical SMILES for 4-hydroxy-1,6-dimethyl-3-nitropyridin-2-one is Cc1cc(O)c([N+](=O)[O-])c(=O)n1C.
What is the InChIKey of 4-hydroxy-1,6-dimethyl-3-nitropyridin-2-one?
The InChIKey is KVSGLQJHGFHBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c1-4-3-5(10)6(9(12)13)7(11)8(4)2/h3,10H,1-2H3.
What are the key properties of 4-hydroxy-1,6-dimethyl-3-nitropyridin-2-one?
4-hydroxy-1,6-dimethyl-3-nitropyridin-2-one has a molecular weight of 184.15 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,6-dimethyl-3-nitropyridin-2-one is sourced from PubChem (CID 54708954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).