5-bromo-2-(2-bromo-5-nitrophenoxy)-4-methylpyridine

C12H8Br2N2O3 — CID 103011961

IUPAC5-bromo-2-(2-bromo-5-nitrophenoxy)-4-methylpyridine
SMILESCc1cc(Oc2cc([N+](=O)[O-])ccc2Br)ncc1Br
InChIInChI=1S/C12H8Br2N2O3/c1-7-4-12(15-6-10(7)14)19-11-5-8(16(17)18)2-3-9(11)13/h2-6H,1H3
InChIKeyCDMVQPFPZACTGA-UHFFFAOYSA-N
MW388.02 g/mol
LogP4.62
Rot. Bonds3

About 5-bromo-2-(2-bromo-5-nitrophenoxy)-4-methylpyridine

5-bromo-2-(2-bromo-5-nitrophenoxy)-4-methylpyridine (PubChem CID 103011961) has the molecular formula C12H8Br2N2O3 and a molecular weight of 388.02 g/mol. Its IUPAC name is 5-bromo-2-(2-bromo-5-nitrophenoxy)-4-methylpyridine.

Molecular Properties

Compound Name5-bromo-2-(2-bromo-5-nitrophenoxy)-4-methylpyridine
PubChem CID103011961
Molecular FormulaC12H8Br2N2O3
Molecular Weight388.02 g/mol
Exact Mass385.89
IUPAC Name5-bromo-2-(2-bromo-5-nitrophenoxy)-4-methylpyridine
SMILESCc1cc(Oc2cc([N+](=O)[O-])ccc2Br)ncc1Br
InChIInChI=1S/C12H8Br2N2O3/c1-7-4-12(15-6-10(7)14)19-11-5-8(16(17)18)2-3-9(11)13/h2-6H,1H3
InChIKeyCDMVQPFPZACTGA-UHFFFAOYSA-N
XLogP4.62
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.02
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-(2-bromo-5-nitrophenoxy)pyridin-4-amine
CID 114053316
5-(2-bromo-5-nitrophenoxy)pyrazine-2-carboxylic acid
CID 103012898
2-(2-bromo-5-fluorophenoxy)-5-methyl-4-nitropyridine
CID 83267572
5-bromo-2-(2-methyl-5-nitrophenoxy)pyridine
CID 61373997
5-bromo-2-(3-bromo-5-nitrophenoxy)-4-methylpyridine
CID 103589277
4-bromo-3-[(5-bromo-4-methyl-2-pyridinyl)oxy]aniline
CID 103011810
[6-(2-bromo-5-nitrophenoxy)-3-pyridinyl]methanamine
CID 103011231
5-chloro-2-(2-methyl-5-nitrophenoxy)pyridine
CID 66233897
2-(2-bromo-5-nitrophenoxy)pyridine-4-carboxylic acid
CID 103009656
2-(2-bromo-5-nitrophenoxy)-6-methylpyridine-4-carbonitrile
CID 103010100
2-(2-bromo-5-nitrophenoxy)-4-methylpyridine-3-carbonitrile
CID 103010086
6-(2-bromo-5-nitrophenoxy)-5-methylpyrimidin-4-amine
CID 103013798

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-bromo-5-nitrophenoxy)-4-methylpyridine?
The IUPAC name of 5-bromo-2-(2-bromo-5-nitrophenoxy)-4-methylpyridine (CID 103011961) is 5-bromo-2-(2-bromo-5-nitrophenoxy)-4-methylpyridine.
What is the SMILES notation for 5-bromo-2-(2-bromo-5-nitrophenoxy)-4-methylpyridine?
The canonical SMILES for 5-bromo-2-(2-bromo-5-nitrophenoxy)-4-methylpyridine is Cc1cc(Oc2cc([N+](=O)[O-])ccc2Br)ncc1Br.
What is the InChIKey of 5-bromo-2-(2-bromo-5-nitrophenoxy)-4-methylpyridine?
The InChIKey is CDMVQPFPZACTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2N2O3/c1-7-4-12(15-6-10(7)14)19-11-5-8(16(17)18)2-3-9(11)13/h2-6H,1H3.
What are the key properties of 5-bromo-2-(2-bromo-5-nitrophenoxy)-4-methylpyridine?
5-bromo-2-(2-bromo-5-nitrophenoxy)-4-methylpyridine has a molecular weight of 388.02 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-bromo-5-nitrophenoxy)-4-methylpyridine is sourced from PubChem (CID 103011961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).