3-nitro-4-(3-nitrophenyl)pyridine

C11H7N3O4 — CID 26793007

IUPAC3-nitro-4-(3-nitrophenyl)pyridine
SMILESO=[N+]([O-])c1cccc(-c2ccncc2[N+](=O)[O-])c1
InChIInChI=1S/C11H7N3O4/c15-13(16)9-3-1-2-8(6-9)10-4-5-12-7-11(10)14(17)18/h1-7H
InChIKeyARAGOVOFPXXOTP-UHFFFAOYSA-N
MW245.19 g/mol
LogP2.57
Rot. Bonds3

About 3-nitro-4-(3-nitrophenyl)pyridine

3-nitro-4-(3-nitrophenyl)pyridine (PubChem CID 26793007) has the molecular formula C11H7N3O4 and a molecular weight of 245.19 g/mol. Its IUPAC name is 3-nitro-4-(3-nitrophenyl)pyridine.

Molecular Properties

Compound Name3-nitro-4-(3-nitrophenyl)pyridine
PubChem CID26793007
Molecular FormulaC11H7N3O4
Molecular Weight245.19 g/mol
Exact Mass245.04
IUPAC Name3-nitro-4-(3-nitrophenyl)pyridine
SMILESO=[N+]([O-])c1cccc(-c2ccncc2[N+](=O)[O-])c1
InChIInChI=1S/C11H7N3O4/c15-13(16)9-3-1-2-8(6-9)10-4-5-12-7-11(10)14(17)18/h1-7H
InChIKeyARAGOVOFPXXOTP-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-(3-nitro-4-pyridinyl)benzonitrile
CID 131871869
nitric acid;4-(3-nitrophenyl)pyridine
CID 71334650
4-(4-methylphenyl)-3-nitropyridine
CID 59113375
2-(3-nitrophenyl)-[1,3]oxazolo[5,4-c]pyridine
CID 59680369
3-chloro-4-(3-nitrophenyl)pyridazine
CID 174434324
1,4-dichloro-2-nitro-5-(3-nitrophenyl)benzene
CID 173315914
1-bromo-3-phenylbenzene;6-(3-nitro-4-pyridinyl)-1H-indole
CID 162005964
4-nitro-1-(2-nitrophenyl)-2-(3-nitrophenyl)benzene
CID 57053685
2-fluoro-3-(3-nitrophenyl)pyridine
CID 125425503
4-[4-methoxy-3-(3-nitrophenyl)phenyl]pyridine
CID 15453442
2-(3-nitrophenyl)-3H-imidazo[4,5-c]pyridine
CID 14183090
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202

Frequently Asked Questions

What is the IUPAC name of 3-nitro-4-(3-nitrophenyl)pyridine?
The IUPAC name of 3-nitro-4-(3-nitrophenyl)pyridine (CID 26793007) is 3-nitro-4-(3-nitrophenyl)pyridine.
What is the SMILES notation for 3-nitro-4-(3-nitrophenyl)pyridine?
The canonical SMILES for 3-nitro-4-(3-nitrophenyl)pyridine is O=[N+]([O-])c1cccc(-c2ccncc2[N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-4-(3-nitrophenyl)pyridine?
The InChIKey is ARAGOVOFPXXOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O4/c15-13(16)9-3-1-2-8(6-9)10-4-5-12-7-11(10)14(17)18/h1-7H.
What are the key properties of 3-nitro-4-(3-nitrophenyl)pyridine?
3-nitro-4-(3-nitrophenyl)pyridine 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-nitro-4-(3-nitrophenyl)pyridine is sourced from PubChem (CID 26793007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).