6-methyl-2-nitro-3-[(4-nitrophenyl)methoxy]pyridine

C13H11N3O5 — CID 3920507

IUPAC6-methyl-2-nitro-3-[(4-nitrophenyl)methoxy]pyridine
SMILESCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])n1
InChIInChI=1S/C13H11N3O5/c1-9-2-7-12(13(14-9)16(19)20)21-8-10-3-5-11(6-4-10)15(17)18/h2-7H,8H2,1H3
InChIKeyMZMASGQMZARWED-UHFFFAOYSA-N
MW289.25 g/mol
LogP2.79
Rot. Bonds5

About 6-methyl-2-nitro-3-[(4-nitrophenyl)methoxy]pyridine

6-methyl-2-nitro-3-[(4-nitrophenyl)methoxy]pyridine (PubChem CID 3920507) has the molecular formula C13H11N3O5 and a molecular weight of 289.25 g/mol. Its IUPAC name is 6-methyl-2-nitro-3-[(4-nitrophenyl)methoxy]pyridine.

Molecular Properties

Compound Name6-methyl-2-nitro-3-[(4-nitrophenyl)methoxy]pyridine
PubChem CID3920507
Molecular FormulaC13H11N3O5
Molecular Weight289.25 g/mol
Exact Mass289.07
IUPAC Name6-methyl-2-nitro-3-[(4-nitrophenyl)methoxy]pyridine
SMILESCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])n1
InChIInChI=1S/C13H11N3O5/c1-9-2-7-12(13(14-9)16(19)20)21-8-10-3-5-11(6-4-10)15(17)18/h2-7H,8H2,1H3
InChIKeyMZMASGQMZARWED-UHFFFAOYSA-N
XLogP2.79
TPSA108.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 52.79
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 6-methyl-2-nitro-3-[(4-nitrophenyl)methoxy]pyridine?
The IUPAC name of 6-methyl-2-nitro-3-[(4-nitrophenyl)methoxy]pyridine (CID 3920507) is 6-methyl-2-nitro-3-[(4-nitrophenyl)methoxy]pyridine.
What is the SMILES notation for 6-methyl-2-nitro-3-[(4-nitrophenyl)methoxy]pyridine?
The canonical SMILES for 6-methyl-2-nitro-3-[(4-nitrophenyl)methoxy]pyridine is Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])n1.
What is the InChIKey of 6-methyl-2-nitro-3-[(4-nitrophenyl)methoxy]pyridine?
The InChIKey is MZMASGQMZARWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O5/c1-9-2-7-12(13(14-9)16(19)20)21-8-10-3-5-11(6-4-10)15(17)18/h2-7H,8H2,1H3.
What are the key properties of 6-methyl-2-nitro-3-[(4-nitrophenyl)methoxy]pyridine?
6-methyl-2-nitro-3-[(4-nitrophenyl)methoxy]pyridine has a molecular weight of 289.25 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-nitro-3-[(4-nitrophenyl)methoxy]pyridine is sourced from PubChem (CID 3920507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).