3,4-dihydroxy-1-(2-hydroxyethyl)-5-[(4-nitrophenyl)methyl]pyridin-2-one

C14H14N2O6 — CID 67708982

IUPAC3,4-dihydroxy-1-(2-hydroxyethyl)-5-[(4-nitrophenyl)methyl]pyridin-2-one
SMILESO=c1c(O)c(O)c(Cc2ccc([N+](=O)[O-])cc2)cn1CCO
InChIInChI=1S/C14H14N2O6/c17-6-5-15-8-10(12(18)13(19)14(15)20)7-9-1-3-11(4-2-9)16(21)22/h1-4,8,17-19H,5-7H2
InChIKeyYDISWSSPHXRPOG-UHFFFAOYSA-N
MW306.27 g/mol
LogP0.75
Rot. Bonds5

About 3,4-dihydroxy-1-(2-hydroxyethyl)-5-[(4-nitrophenyl)methyl]pyridin-2-one

3,4-dihydroxy-1-(2-hydroxyethyl)-5-[(4-nitrophenyl)methyl]pyridin-2-one (PubChem CID 67708982) has the molecular formula C14H14N2O6 and a molecular weight of 306.27 g/mol. Its IUPAC name is 3,4-dihydroxy-1-(2-hydroxyethyl)-5-[(4-nitrophenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name3,4-dihydroxy-1-(2-hydroxyethyl)-5-[(4-nitrophenyl)methyl]pyridin-2-one
PubChem CID67708982
Molecular FormulaC14H14N2O6
Molecular Weight306.27 g/mol
Exact Mass306.09
IUPAC Name3,4-dihydroxy-1-(2-hydroxyethyl)-5-[(4-nitrophenyl)methyl]pyridin-2-one
SMILESO=c1c(O)c(O)c(Cc2ccc([N+](=O)[O-])cc2)cn1CCO
InChIInChI=1S/C14H14N2O6/c17-6-5-15-8-10(12(18)13(19)14(15)20)7-9-1-3-11(4-2-9)16(21)22/h1-4,8,17-19H,5-7H2
InChIKeyYDISWSSPHXRPOG-UHFFFAOYSA-N
XLogP0.75
TPSA125.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

[4-[(4-nitrophenyl)methyl]phenyl]methanol
CID 118428999
potassium 2-(4-nitrophenyl)acetate
CID 15261201
hydron;2-(4-nitrophenyl)ethanol
CID 131851380
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-nitrophenyl)ethanone
CID 43390899
nitric acid;[2-(4-nitrophenyl)acetyl]azanide;yttrium
CID 58164995
dideuterio-(4-nitrophenyl)methanol
CID 10241023
bis[(4-nitrophenyl)methyl]-oxophosphanium
CID 22169102
4-hydroxy-3-(2-methylphenyl)-1-[(4-nitrophenyl)methyl]imidazol-2-one
CID 90969522
N-methyl-2-(4-nitrophenyl)acetamide
CID 3389164
4-[[2-[(4-nitrophenyl)methyl]hydrazinyl]methyl]phenol
CID 57008616
N-(2-hydroxyethyl)-2-(4-nitrophenyl)acetamide
CID 2054852
5-nitro-1-[(4-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 36991794

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-1-(2-hydroxyethyl)-5-[(4-nitrophenyl)methyl]pyridin-2-one?
The IUPAC name of 3,4-dihydroxy-1-(2-hydroxyethyl)-5-[(4-nitrophenyl)methyl]pyridin-2-one (CID 67708982) is 3,4-dihydroxy-1-(2-hydroxyethyl)-5-[(4-nitrophenyl)methyl]pyridin-2-one.
What is the SMILES notation for 3,4-dihydroxy-1-(2-hydroxyethyl)-5-[(4-nitrophenyl)methyl]pyridin-2-one?
The canonical SMILES for 3,4-dihydroxy-1-(2-hydroxyethyl)-5-[(4-nitrophenyl)methyl]pyridin-2-one is O=c1c(O)c(O)c(Cc2ccc([N+](=O)[O-])cc2)cn1CCO.
What is the InChIKey of 3,4-dihydroxy-1-(2-hydroxyethyl)-5-[(4-nitrophenyl)methyl]pyridin-2-one?
The InChIKey is YDISWSSPHXRPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O6/c17-6-5-15-8-10(12(18)13(19)14(15)20)7-9-1-3-11(4-2-9)16(21)22/h1-4,8,17-19H,5-7H2.
What are the key properties of 3,4-dihydroxy-1-(2-hydroxyethyl)-5-[(4-nitrophenyl)methyl]pyridin-2-one?
3,4-dihydroxy-1-(2-hydroxyethyl)-5-[(4-nitrophenyl)methyl]pyridin-2-one has a molecular weight of 306.27 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-1-(2-hydroxyethyl)-5-[(4-nitrophenyl)methyl]pyridin-2-one is sourced from PubChem (CID 67708982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).