3-bromo-5-methoxy-2,6-dinitropyridine

C6H4BrN3O5 — CID 2783820

IUPAC3-bromo-5-methoxy-2,6-dinitropyridine
SMILESCOc1cc(Br)c([N+](=O)[O-])nc1[N+](=O)[O-]
InChIInChI=1S/C6H4BrN3O5/c1-15-4-2-3(7)5(9(11)12)8-6(4)10(13)14/h2H,1H3
InChIKeySRZZCSXOCJYUDB-UHFFFAOYSA-N
MW278.02 g/mol
LogP1.67
Rot. Bonds3

About 3-bromo-5-methoxy-2,6-dinitropyridine

3-bromo-5-methoxy-2,6-dinitropyridine (PubChem CID 2783820) has the molecular formula C6H4BrN3O5 and a molecular weight of 278.02 g/mol. Its IUPAC name is 3-bromo-5-methoxy-2,6-dinitropyridine.

Molecular Properties

Compound Name3-bromo-5-methoxy-2,6-dinitropyridine
PubChem CID2783820
Molecular FormulaC6H4BrN3O5
Molecular Weight278.02 g/mol
Exact Mass276.93
IUPAC Name3-bromo-5-methoxy-2,6-dinitropyridine
SMILESCOc1cc(Br)c([N+](=O)[O-])nc1[N+](=O)[O-]
InChIInChI=1S/C6H4BrN3O5/c1-15-4-2-3(7)5(9(11)12)8-6(4)10(13)14/h2H,1H3
InChIKeySRZZCSXOCJYUDB-UHFFFAOYSA-N
XLogP1.67
TPSA108.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.02
LogP ≤ 51.67
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 3-bromo-5-methoxy-2,6-dinitropyridine?
The IUPAC name of 3-bromo-5-methoxy-2,6-dinitropyridine (CID 2783820) is 3-bromo-5-methoxy-2,6-dinitropyridine.
What is the SMILES notation for 3-bromo-5-methoxy-2,6-dinitropyridine?
The canonical SMILES for 3-bromo-5-methoxy-2,6-dinitropyridine is COc1cc(Br)c([N+](=O)[O-])nc1[N+](=O)[O-].
What is the InChIKey of 3-bromo-5-methoxy-2,6-dinitropyridine?
The InChIKey is SRZZCSXOCJYUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrN3O5/c1-15-4-2-3(7)5(9(11)12)8-6(4)10(13)14/h2H,1H3.
What are the key properties of 3-bromo-5-methoxy-2,6-dinitropyridine?
3-bromo-5-methoxy-2,6-dinitropyridine has a molecular weight of 278.02 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methoxy-2,6-dinitropyridine is sourced from PubChem (CID 2783820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).