6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-nitropyridin-2-one

C8H10N2O5 — CID 23338610

IUPAC6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-nitropyridin-2-one
SMILESCc1cc(=O)n(CCO)c(O)c1[N+](=O)[O-]
InChIInChI=1S/C8H10N2O5/c1-5-4-6(12)9(2-3-11)8(13)7(5)10(14)15/h4,11,13H,2-3H2,1H3
InChIKeyPULPPOGBGVGMQI-UHFFFAOYSA-N
MW214.18 g/mol
LogP-0.24
Rot. Bonds3

About 6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-nitropyridin-2-one

6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-nitropyridin-2-one (PubChem CID 23338610) has the molecular formula C8H10N2O5 and a molecular weight of 214.18 g/mol. Its IUPAC name is 6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-nitropyridin-2-one.

Molecular Properties

Compound Name6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-nitropyridin-2-one
PubChem CID23338610
Molecular FormulaC8H10N2O5
Molecular Weight214.18 g/mol
Exact Mass214.06
IUPAC Name6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-nitropyridin-2-one
SMILESCc1cc(=O)n(CCO)c(O)c1[N+](=O)[O-]
InChIInChI=1S/C8H10N2O5/c1-5-4-6(12)9(2-3-11)8(13)7(5)10(14)15/h4,11,13H,2-3H2,1H3
InChIKeyPULPPOGBGVGMQI-UHFFFAOYSA-N
XLogP-0.24
TPSA105.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-nitropyridin-2-one?
The IUPAC name of 6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-nitropyridin-2-one (CID 23338610) is 6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-nitropyridin-2-one.
What is the SMILES notation for 6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-nitropyridin-2-one?
The canonical SMILES for 6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-nitropyridin-2-one is Cc1cc(=O)n(CCO)c(O)c1[N+](=O)[O-].
What is the InChIKey of 6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-nitropyridin-2-one?
The InChIKey is PULPPOGBGVGMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O5/c1-5-4-6(12)9(2-3-11)8(13)7(5)10(14)15/h4,11,13H,2-3H2,1H3.
What are the key properties of 6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-nitropyridin-2-one?
6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-nitropyridin-2-one has a molecular weight of 214.18 g/mol, XLogP of -0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-nitropyridin-2-one is sourced from PubChem (CID 23338610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).