4-nitro-2-(4-nitro-2-pyridinyl)pyridine

C10H6N4O4 — CID 11519563

IUPAC4-nitro-2-(4-nitro-2-pyridinyl)pyridine
SMILESO=[N+]([O-])c1ccnc(-c2cc([N+](=O)[O-])ccn2)c1
InChIInChI=1S/C10H6N4O4/c15-13(16)7-1-3-11-9(5-7)10-6-8(14(17)18)2-4-12-10/h1-6H
InChIKeyULRVNIRBWWMQJT-UHFFFAOYSA-N
MW246.18 g/mol
LogP1.96
Rot. Bonds3

About 4-nitro-2-(4-nitro-2-pyridinyl)pyridine

4-nitro-2-(4-nitro-2-pyridinyl)pyridine (PubChem CID 11519563) has the molecular formula C10H6N4O4 and a molecular weight of 246.18 g/mol. Its IUPAC name is 4-nitro-2-(4-nitro-2-pyridinyl)pyridine.

Molecular Properties

Compound Name4-nitro-2-(4-nitro-2-pyridinyl)pyridine
PubChem CID11519563
Molecular FormulaC10H6N4O4
Molecular Weight246.18 g/mol
Exact Mass246.04
IUPAC Name4-nitro-2-(4-nitro-2-pyridinyl)pyridine
SMILESO=[N+]([O-])c1ccnc(-c2cc([N+](=O)[O-])ccn2)c1
InChIInChI=1S/C10H6N4O4/c15-13(16)7-1-3-11-9(5-7)10-6-8(14(17)18)2-4-12-10/h1-6H
InChIKeyULRVNIRBWWMQJT-UHFFFAOYSA-N
XLogP1.96
TPSA112.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.18
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 4-nitro-2-(4-nitro-2-pyridinyl)pyridine?
The IUPAC name of 4-nitro-2-(4-nitro-2-pyridinyl)pyridine (CID 11519563) is 4-nitro-2-(4-nitro-2-pyridinyl)pyridine.
What is the SMILES notation for 4-nitro-2-(4-nitro-2-pyridinyl)pyridine?
The canonical SMILES for 4-nitro-2-(4-nitro-2-pyridinyl)pyridine is O=[N+]([O-])c1ccnc(-c2cc([N+](=O)[O-])ccn2)c1.
What is the InChIKey of 4-nitro-2-(4-nitro-2-pyridinyl)pyridine?
The InChIKey is ULRVNIRBWWMQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4O4/c15-13(16)7-1-3-11-9(5-7)10-6-8(14(17)18)2-4-12-10/h1-6H.
What are the key properties of 4-nitro-2-(4-nitro-2-pyridinyl)pyridine?
4-nitro-2-(4-nitro-2-pyridinyl)pyridine has a molecular weight of 246.18 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-2-(4-nitro-2-pyridinyl)pyridine is sourced from PubChem (CID 11519563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).