3,5-dinitro-2-phenylpyridine

C11H7N3O4 — CID 14948543

IUPAC3,5-dinitro-2-phenylpyridine
SMILESO=[N+]([O-])c1cnc(-c2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H7N3O4/c15-13(16)9-6-10(14(17)18)11(12-7-9)8-4-2-1-3-5-8/h1-7H
InChIKeyXIAMRZMVHZLGOR-UHFFFAOYSA-N
MW245.19 g/mol
LogP2.57
Rot. Bonds3

About 3,5-dinitro-2-phenylpyridine

3,5-dinitro-2-phenylpyridine (PubChem CID 14948543) has the molecular formula C11H7N3O4 and a molecular weight of 245.19 g/mol. Its IUPAC name is 3,5-dinitro-2-phenylpyridine.

Molecular Properties

Compound Name3,5-dinitro-2-phenylpyridine
PubChem CID14948543
Molecular FormulaC11H7N3O4
Molecular Weight245.19 g/mol
Exact Mass245.04
IUPAC Name3,5-dinitro-2-phenylpyridine
SMILESO=[N+]([O-])c1cnc(-c2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H7N3O4/c15-13(16)9-6-10(14(17)18)11(12-7-9)8-4-2-1-3-5-8/h1-7H
InChIKeyXIAMRZMVHZLGOR-UHFFFAOYSA-N
XLogP2.57
TPSA99.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.19
LogP ≤ 52.57
H-Bond Donors ≤ 50
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

3-methyl-5-nitro-2-(2-phenylphenyl)pyridine
CID 86690158
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
2-[4-(5-nitro-3-phenyl-2-pyridinyl)phenyl]propan-2-ylcarbamic acid
CID 121438934
3,5-dinitro-N-[(1R)-1-phenylethyl]pyridin-2-amine
CID 91983831
5-chloro-3-nitro-2-pyridin-3-ylpyridine
CID 46315358
5,7-dinitro-3-phenyl-1H-quinoxalin-2-one
CID 24796801
N-(2-chlorophenyl)-3,5-dinitropyridin-2-amine
CID 2837278
4-nitro-2-phenylpyridin-3-amine
CID 131339480
4-nitro-2,5-diphenylpyridine
CID 56647199
2-[(3,5-dinitro-2-pyridinyl)oxy]benzoic acid
CID 134120284
4-(2,4-dinitrophenyl)-2-phenylquinazoline
CID 3744800
5-nitro-3-phenyl-1,2-benzoxazole
CID 762566

Frequently Asked Questions

What is the IUPAC name of 3,5-dinitro-2-phenylpyridine?
The IUPAC name of 3,5-dinitro-2-phenylpyridine (CID 14948543) is 3,5-dinitro-2-phenylpyridine.
What is the SMILES notation for 3,5-dinitro-2-phenylpyridine?
The canonical SMILES for 3,5-dinitro-2-phenylpyridine is O=[N+]([O-])c1cnc(-c2ccccc2)c([N+](=O)[O-])c1.
What is the InChIKey of 3,5-dinitro-2-phenylpyridine?
The InChIKey is XIAMRZMVHZLGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O4/c15-13(16)9-6-10(14(17)18)11(12-7-9)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 3,5-dinitro-2-phenylpyridine?
3,5-dinitro-2-phenylpyridine has a molecular weight of 245.19 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dinitro-2-phenylpyridine is sourced from PubChem (CID 14948543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).