1-(2-hydroxy-6-nitrophenyl)pyridin-4-one

C11H8N2O4 — CID 175188205

IUPAC1-(2-hydroxy-6-nitrophenyl)pyridin-4-one
SMILESO=c1ccn(-c2c(O)cccc2[N+](=O)[O-])cc1
InChIInChI=1S/C11H8N2O4/c14-8-4-6-12(7-5-8)11-9(13(16)17)2-1-3-10(11)15/h1-7,15H
InChIKeyAPVBGZFIQDGVNE-UHFFFAOYSA-N
MW232.20 g/mol
LogP1.45
Rot. Bonds2

About 1-(2-hydroxy-6-nitrophenyl)pyridin-4-one

1-(2-hydroxy-6-nitrophenyl)pyridin-4-one (PubChem CID 175188205) has the molecular formula C11H8N2O4 and a molecular weight of 232.20 g/mol. Its IUPAC name is 1-(2-hydroxy-6-nitrophenyl)pyridin-4-one.

Molecular Properties

Compound Name1-(2-hydroxy-6-nitrophenyl)pyridin-4-one
PubChem CID175188205
Molecular FormulaC11H8N2O4
Molecular Weight232.20 g/mol
Exact Mass232.05
IUPAC Name1-(2-hydroxy-6-nitrophenyl)pyridin-4-one
SMILESO=c1ccn(-c2c(O)cccc2[N+](=O)[O-])cc1
InChIInChI=1S/C11H8N2O4/c14-8-4-6-12(7-5-8)11-9(13(16)17)2-1-3-10(11)15/h1-7,15H
InChIKeyAPVBGZFIQDGVNE-UHFFFAOYSA-N
XLogP1.45
TPSA85.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 51.45
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

(2-hydroxy-6-nitrophenyl)mercury;hydrate
CID 21455177
2-nitro-6-[(4-oxo-1-pyridinyl)methyl]benzoic acid
CID 104825617
disodium;hydride;2-nitrophenol
CID 174745512
methanol;2-nitrophenol
CID 157303764
1-(2-hydroxy-6-nitrophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671346
1-(2-hydroxyphenyl)pyridin-4-one
CID 175187791
azanide;1,2-dinitrobenzene;platinum
CID 158959684
2-(2,6-dinitrophenyl)sulfanyl-1,3-dinitrobenzene
CID 154253761
2-ethenyl-3-nitrophenol
CID 10583166
2-ethyl-3-nitrophenol
CID 59302303
2,3-dinitrophenol;2,3,4-trinitrophenol
CID 88658203
1-(2-fluoro-6-nitrophenyl)pyrrolidin-3-ol
CID 75993954

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-6-nitrophenyl)pyridin-4-one?
The IUPAC name of 1-(2-hydroxy-6-nitrophenyl)pyridin-4-one (CID 175188205) is 1-(2-hydroxy-6-nitrophenyl)pyridin-4-one.
What is the SMILES notation for 1-(2-hydroxy-6-nitrophenyl)pyridin-4-one?
The canonical SMILES for 1-(2-hydroxy-6-nitrophenyl)pyridin-4-one is O=c1ccn(-c2c(O)cccc2[N+](=O)[O-])cc1.
What is the InChIKey of 1-(2-hydroxy-6-nitrophenyl)pyridin-4-one?
The InChIKey is APVBGZFIQDGVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O4/c14-8-4-6-12(7-5-8)11-9(13(16)17)2-1-3-10(11)15/h1-7,15H.
What are the key properties of 1-(2-hydroxy-6-nitrophenyl)pyridin-4-one?
1-(2-hydroxy-6-nitrophenyl)pyridin-4-one has a molecular weight of 232.20 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-6-nitrophenyl)pyridin-4-one is sourced from PubChem (CID 175188205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).