1-hydroxy-4-(4-nitrophenyl)pyridin-1-ium

C11H9N2O3+ — CID 23422057

IUPAC1-hydroxy-4-(4-nitrophenyl)pyridin-1-ium
SMILESO=[N+]([O-])c1ccc(-c2cc[n+](O)cc2)cc1
InChIInChI=1S/C11H9N2O3/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8,14H/q+1
InChIKeyIXTQIKYKOWCOGV-UHFFFAOYSA-N
MW217.20 g/mol
LogP1.79
Rot. Bonds2

About 1-hydroxy-4-(4-nitrophenyl)pyridin-1-ium

1-hydroxy-4-(4-nitrophenyl)pyridin-1-ium (PubChem CID 23422057) has the molecular formula C11H9N2O3+ and a molecular weight of 217.20 g/mol. Its IUPAC name is 1-hydroxy-4-(4-nitrophenyl)pyridin-1-ium.

Molecular Properties

Compound Name1-hydroxy-4-(4-nitrophenyl)pyridin-1-ium
PubChem CID23422057
Molecular FormulaC11H9N2O3+
Molecular Weight217.20 g/mol
Exact Mass217.06
IUPAC Name1-hydroxy-4-(4-nitrophenyl)pyridin-1-ium
SMILESO=[N+]([O-])c1ccc(-c2cc[n+](O)cc2)cc1
InChIInChI=1S/C11H9N2O3/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8,14H/q+1
InChIKeyIXTQIKYKOWCOGV-UHFFFAOYSA-N
XLogP1.79
TPSA67.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.20
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-hydroxy-4-(4-nitrophenyl)pyridin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-4-(4-nitrophenyl)pyridin-1-ium
CID 142406755
4-nitro-1-oxidopyridin-1-ium;4-(4-nitrophenyl)phenol
CID 139089084
1-nitro-4-(4-nitrophenyl)benzene;piperazine
CID 175101984
formaldehyde;bis(1-nitro-4-phenylbenzene)
CID 174842779
1-(4-nitrophenyl)-4-[1,2,2-tris[4-(4-nitrophenyl)phenyl]ethyl]benzene
CID 164575801
5-(1-methylpyridin-1-ium-4-yl)-2-(4-nitrophenyl)pyrimidine
CID 22416333
2-hydroxy-7-nitroisoquinolin-2-ium
CID 142029956
bis(1-nitro-4-phenylbenzene);sulfur dioxide
CID 174751271
3-(4-nitrophenyl)phenol
CID 15743438
1,4-dinitrobenzene;nitrous acid
CID 174371180
4-nitrophenol
CID 88714583
1-nitro-4-phenylbenzene;sulfurochloridic acid
CID 23180093

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-(4-nitrophenyl)pyridin-1-ium?
The IUPAC name of 1-hydroxy-4-(4-nitrophenyl)pyridin-1-ium (CID 23422057) is 1-hydroxy-4-(4-nitrophenyl)pyridin-1-ium.
What is the SMILES notation for 1-hydroxy-4-(4-nitrophenyl)pyridin-1-ium?
The canonical SMILES for 1-hydroxy-4-(4-nitrophenyl)pyridin-1-ium is O=[N+]([O-])c1ccc(-c2cc[n+](O)cc2)cc1.
What is the InChIKey of 1-hydroxy-4-(4-nitrophenyl)pyridin-1-ium?
The InChIKey is IXTQIKYKOWCOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N2O3/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8,14H/q+1.
What are the key properties of 1-hydroxy-4-(4-nitrophenyl)pyridin-1-ium?
1-hydroxy-4-(4-nitrophenyl)pyridin-1-ium has a molecular weight of 217.20 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-(4-nitrophenyl)pyridin-1-ium is sourced from PubChem (CID 23422057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).