nitric acid;4-(3-nitrophenyl)pyridine

C11H9N3O5 — CID 71334650

IUPACnitric acid;4-(3-nitrophenyl)pyridine
SMILESO=[N+]([O-])O.O=[N+]([O-])c1cccc(-c2ccncc2)c1
InChIInChI=1S/C11H8N2O2.HNO3/c14-13(15)11-3-1-2-10(8-11)9-4-6-12-7-5-9;2-1(3)4/h1-8H;(H,2,3,4)
InChIKeyZSVUKVZNLBFVJS-UHFFFAOYSA-N
MW263.21 g/mol
LogP2.31
Rot. Bonds2

About nitric acid;4-(3-nitrophenyl)pyridine

nitric acid;4-(3-nitrophenyl)pyridine (PubChem CID 71334650) has the molecular formula C11H9N3O5 and a molecular weight of 263.21 g/mol. Its IUPAC name is nitric acid;4-(3-nitrophenyl)pyridine.

Molecular Properties

Compound Namenitric acid;4-(3-nitrophenyl)pyridine
PubChem CID71334650
Molecular FormulaC11H9N3O5
Molecular Weight263.21 g/mol
Exact Mass263.05
IUPAC Namenitric acid;4-(3-nitrophenyl)pyridine
SMILESO=[N+]([O-])O.O=[N+]([O-])c1cccc(-c2ccncc2)c1
InChIInChI=1S/C11H8N2O2.HNO3/c14-13(15)11-3-1-2-10(8-11)9-4-6-12-7-5-9;2-1(3)4/h1-8H;(H,2,3,4)
InChIKeyZSVUKVZNLBFVJS-UHFFFAOYSA-N
XLogP2.31
TPSA119.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 52.31
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

1,1-dimethoxyethane;4-(3-nitrophenyl)pyridine
CID 139939427
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
4-[4-methoxy-3-(3-nitrophenyl)phenyl]pyridine
CID 15453442
N-[3-(3-nitrophenyl)phenyl]pyridine-4-carboxamide
CID 110444896
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
formic acid;1-nitro-3-phenylbenzene
CID 158057338
3-nitro-4-(3-nitrophenyl)pyridine
CID 26793007
4-[5-methyl-3-(3-nitrophenyl)-1H-pyrazol-4-yl]pyridine
CID 22037254
1-nitro-3-[4-(trifluoromethyl)phenyl]benzene
CID 54368698
5-methyl-7-(3-nitrophenyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 69132149
2-amino-6-(3-nitrophenyl)-4-pyridin-4-ylpyridine-3-carbonitrile
CID 5254077
7-(3-nitrophenyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66497839

Frequently Asked Questions

What is the IUPAC name of nitric acid;4-(3-nitrophenyl)pyridine?
The IUPAC name of nitric acid;4-(3-nitrophenyl)pyridine (CID 71334650) is nitric acid;4-(3-nitrophenyl)pyridine.
What is the SMILES notation for nitric acid;4-(3-nitrophenyl)pyridine?
The canonical SMILES for nitric acid;4-(3-nitrophenyl)pyridine is O=[N+]([O-])O.O=[N+]([O-])c1cccc(-c2ccncc2)c1.
What is the InChIKey of nitric acid;4-(3-nitrophenyl)pyridine?
The InChIKey is ZSVUKVZNLBFVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2.HNO3/c14-13(15)11-3-1-2-10(8-11)9-4-6-12-7-5-9;2-1(3)4/h1-8H;(H,2,3,4).
What are the key properties of nitric acid;4-(3-nitrophenyl)pyridine?
nitric acid;4-(3-nitrophenyl)pyridine has a molecular weight of 263.21 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for nitric acid;4-(3-nitrophenyl)pyridine is sourced from PubChem (CID 71334650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).