2-bromo-6-methyl-3-[(6-methyl-5-nitro-2-pyridinyl)oxy]pyridine

C12H10BrN3O3 — CID 133476968

IUPAC2-bromo-6-methyl-3-[(6-methyl-5-nitro-2-pyridinyl)oxy]pyridine
SMILESCc1ccc(Oc2ccc([N+](=O)[O-])c(C)n2)c(Br)n1
InChIInChI=1S/C12H10BrN3O3/c1-7-3-5-10(12(13)14-7)19-11-6-4-9(16(17)18)8(2)15-11/h3-6H,1-2H3
InChIKeyNKMJXOIBCAVXTE-UHFFFAOYSA-N
MW324.13 g/mol
LogP3.56
Rot. Bonds3

About 2-bromo-6-methyl-3-[(6-methyl-5-nitro-2-pyridinyl)oxy]pyridine

2-bromo-6-methyl-3-[(6-methyl-5-nitro-2-pyridinyl)oxy]pyridine (PubChem CID 133476968) has the molecular formula C12H10BrN3O3 and a molecular weight of 324.13 g/mol. Its IUPAC name is 2-bromo-6-methyl-3-[(6-methyl-5-nitro-2-pyridinyl)oxy]pyridine.

Molecular Properties

Compound Name2-bromo-6-methyl-3-[(6-methyl-5-nitro-2-pyridinyl)oxy]pyridine
PubChem CID133476968
Molecular FormulaC12H10BrN3O3
Molecular Weight324.13 g/mol
Exact Mass322.99
IUPAC Name2-bromo-6-methyl-3-[(6-methyl-5-nitro-2-pyridinyl)oxy]pyridine
SMILESCc1ccc(Oc2ccc([N+](=O)[O-])c(C)n2)c(Br)n1
InChIInChI=1S/C12H10BrN3O3/c1-7-3-5-10(12(13)14-7)19-11-6-4-9(16(17)18)8(2)15-11/h3-6H,1-2H3
InChIKeyNKMJXOIBCAVXTE-UHFFFAOYSA-N
XLogP3.56
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.13
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-methyl-3-(5-methyl-2-nitrophenoxy)pyridine
CID 133476936
6-(2-iodophenoxy)-2-methyl-3-nitropyridine
CID 80718939
6-(4-iodophenoxy)-2-methyl-3-nitropyridine
CID 80719025
2-(2-bromo-4-methylphenoxy)-6-methyl-3-nitropyridine
CID 81131436
3,5-dichloro-4-[(6-methyl-5-nitro-2-pyridinyl)oxy]aniline
CID 155268546
2-(2-bromo-4-fluorophenoxy)-6-methyl-3-nitropyridine
CID 81133094
2-chloro-3-(4,5-dichloro-2-nitrophenoxy)-6-methylpyridine
CID 12569053
5-[(6-methyl-5-nitro-2-pyridinyl)oxy]-2,3-dihydroinden-1-one
CID 133486366
2-(2-bromo-4-methylphenoxy)-6-methoxy-3-nitropyridine
CID 115321316
O-(6-methyl-3-nitro-2-pyridinyl)hydroxylamine
CID 81137851
3-[(6-methyl-2-pyridinyl)oxy]-4-nitrobenzoic acid
CID 107078079
5-bromo-2-(4-methyl-2-nitrophenoxy)pyridine
CID 61374554

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methyl-3-[(6-methyl-5-nitro-2-pyridinyl)oxy]pyridine?
The IUPAC name of 2-bromo-6-methyl-3-[(6-methyl-5-nitro-2-pyridinyl)oxy]pyridine (CID 133476968) is 2-bromo-6-methyl-3-[(6-methyl-5-nitro-2-pyridinyl)oxy]pyridine.
What is the SMILES notation for 2-bromo-6-methyl-3-[(6-methyl-5-nitro-2-pyridinyl)oxy]pyridine?
The canonical SMILES for 2-bromo-6-methyl-3-[(6-methyl-5-nitro-2-pyridinyl)oxy]pyridine is Cc1ccc(Oc2ccc([N+](=O)[O-])c(C)n2)c(Br)n1.
What is the InChIKey of 2-bromo-6-methyl-3-[(6-methyl-5-nitro-2-pyridinyl)oxy]pyridine?
The InChIKey is NKMJXOIBCAVXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O3/c1-7-3-5-10(12(13)14-7)19-11-6-4-9(16(17)18)8(2)15-11/h3-6H,1-2H3.
What are the key properties of 2-bromo-6-methyl-3-[(6-methyl-5-nitro-2-pyridinyl)oxy]pyridine?
2-bromo-6-methyl-3-[(6-methyl-5-nitro-2-pyridinyl)oxy]pyridine has a molecular weight of 324.13 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methyl-3-[(6-methyl-5-nitro-2-pyridinyl)oxy]pyridine is sourced from PubChem (CID 133476968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).