5-bromo-2-(3-bromo-5-nitrophenoxy)-4-methylpyridine

C12H8Br2N2O3 — CID 103589277

IUPAC5-bromo-2-(3-bromo-5-nitrophenoxy)-4-methylpyridine
SMILESCc1cc(Oc2cc(Br)cc([N+](=O)[O-])c2)ncc1Br
InChIInChI=1S/C12H8Br2N2O3/c1-7-2-12(15-6-11(7)14)19-10-4-8(13)3-9(5-10)16(17)18/h2-6H,1H3
InChIKeyHAMSRKBVYRBLQS-UHFFFAOYSA-N
MW388.02 g/mol
LogP4.62
Rot. Bonds3

About 5-bromo-2-(3-bromo-5-nitrophenoxy)-4-methylpyridine

5-bromo-2-(3-bromo-5-nitrophenoxy)-4-methylpyridine (PubChem CID 103589277) has the molecular formula C12H8Br2N2O3 and a molecular weight of 388.02 g/mol. Its IUPAC name is 5-bromo-2-(3-bromo-5-nitrophenoxy)-4-methylpyridine.

Molecular Properties

Compound Name5-bromo-2-(3-bromo-5-nitrophenoxy)-4-methylpyridine
PubChem CID103589277
Molecular FormulaC12H8Br2N2O3
Molecular Weight388.02 g/mol
Exact Mass385.89
IUPAC Name5-bromo-2-(3-bromo-5-nitrophenoxy)-4-methylpyridine
SMILESCc1cc(Oc2cc(Br)cc([N+](=O)[O-])c2)ncc1Br
InChIInChI=1S/C12H8Br2N2O3/c1-7-2-12(15-6-11(7)14)19-10-4-8(13)3-9(5-10)16(17)18/h2-6H,1H3
InChIKeyHAMSRKBVYRBLQS-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

5-bromo-2-(2-bromo-5-nitrophenoxy)-4-methylpyridine
CID 103011961
3-bromo-2-(3-bromo-5-nitrophenoxy)-5-chloropyridine
CID 103589278
[6-(3-bromo-5-nitrophenoxy)-3-pyridinyl]methanamine
CID 103589022
(1S)-1-[2-(3-bromo-5-nitrophenoxy)-4-pyridinyl]ethanamine
CID 103588811
4-(3-bromo-5-nitrophenoxy)-2-chloropyrimidine
CID 103588576
5-bromo-2-(2,4-dimethyl-6-nitrophenoxy)-4-methylpyridine
CID 114870736
5-bromo-4-methyl-2-(4-methylphenoxy)pyridine
CID 114870650
6-(3-bromo-5-nitrophenoxy)-5-methylpyrimidin-4-amine
CID 103589669
2-(3-bromo-5-nitrophenoxy)-6-chloropyridine
CID 103588560
(1R)-1-[5-(3-bromo-5-nitrophenoxy)-2-pyridinyl]ethanamine
CID 103588798
6-(3-bromo-5-nitrophenoxy)-2,5-dimethylpyrimidin-4-amine
CID 103589656
4-(3-bromo-5-nitrophenoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 103589686

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-bromo-5-nitrophenoxy)-4-methylpyridine?
The IUPAC name of 5-bromo-2-(3-bromo-5-nitrophenoxy)-4-methylpyridine (CID 103589277) is 5-bromo-2-(3-bromo-5-nitrophenoxy)-4-methylpyridine.
What is the SMILES notation for 5-bromo-2-(3-bromo-5-nitrophenoxy)-4-methylpyridine?
The canonical SMILES for 5-bromo-2-(3-bromo-5-nitrophenoxy)-4-methylpyridine is Cc1cc(Oc2cc(Br)cc([N+](=O)[O-])c2)ncc1Br.
What is the InChIKey of 5-bromo-2-(3-bromo-5-nitrophenoxy)-4-methylpyridine?
The InChIKey is HAMSRKBVYRBLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2N2O3/c1-7-2-12(15-6-11(7)14)19-10-4-8(13)3-9(5-10)16(17)18/h2-6H,1H3.
What are the key properties of 5-bromo-2-(3-bromo-5-nitrophenoxy)-4-methylpyridine?
5-bromo-2-(3-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-(3-bromo-5-nitrophenoxy)-4-methylpyridine is sourced from PubChem (CID 103589277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).