3,5-dibromo-2-(2-methyl-5-nitrophenoxy)pyridine

C12H8Br2N2O3 — CID 113413889

IUPAC3,5-dibromo-2-(2-methyl-5-nitrophenoxy)pyridine
SMILESCc1ccc([N+](=O)[O-])cc1Oc1ncc(Br)cc1Br
InChIInChI=1S/C12H8Br2N2O3/c1-7-2-3-9(16(17)18)5-11(7)19-12-10(14)4-8(13)6-15-12/h2-6H,1H3
InChIKeyLZBXVANGCVTIDL-UHFFFAOYSA-N
MW388.02 g/mol
LogP4.62
Rot. Bonds3

About 3,5-dibromo-2-(2-methyl-5-nitrophenoxy)pyridine

3,5-dibromo-2-(2-methyl-5-nitrophenoxy)pyridine (PubChem CID 113413889) has the molecular formula C12H8Br2N2O3 and a molecular weight of 388.02 g/mol. Its IUPAC name is 3,5-dibromo-2-(2-methyl-5-nitrophenoxy)pyridine.

Molecular Properties

Compound Name3,5-dibromo-2-(2-methyl-5-nitrophenoxy)pyridine
PubChem CID113413889
Molecular FormulaC12H8Br2N2O3
Molecular Weight388.02 g/mol
Exact Mass385.89
IUPAC Name3,5-dibromo-2-(2-methyl-5-nitrophenoxy)pyridine
SMILESCc1ccc([N+](=O)[O-])cc1Oc1ncc(Br)cc1Br
InChIInChI=1S/C12H8Br2N2O3/c1-7-2-3-9(16(17)18)5-11(7)19-12-10(14)4-8(13)6-15-12/h2-6H,1H3
InChIKeyLZBXVANGCVTIDL-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-methyl-5-nitrophenoxy)pyridine
CID 61373997
5-bromo-2-chloro-4-(2-methyl-5-nitrophenoxy)pyrimidine
CID 79075514
3,5-dibromo-2-(5-methyl-2-nitrophenoxy)pyridine
CID 113413888
2-(5-bromo-2-methylphenoxy)-3-chloro-5-nitropyridine
CID 114046469
5-chloro-3-fluoro-2-(2-methyl-5-nitrophenoxy)pyridine
CID 79733934
3-bromo-5-chloro-2-(2-methoxy-4-nitrophenoxy)pyridine
CID 114837726
2-chloro-5-methyl-4-(2-methyl-5-nitrophenoxy)pyridine
CID 83269016
1-methyl-2-(2-methylphenoxy)-4-nitrobenzene
CID 141213326
5-bromo-2-(2-bromo-5-nitrophenoxy)-4-methylpyridine
CID 103011961
5-chloro-2-(2-methyl-5-nitrophenoxy)pyridine
CID 66233897
4-chloro-6-(2-methyl-5-nitrophenoxy)-5-nitropyrimidine
CID 62102493
4-bromo-2-(2-methyl-5-nitrophenoxy)benzaldehyde
CID 61030930

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-2-(2-methyl-5-nitrophenoxy)pyridine?
The IUPAC name of 3,5-dibromo-2-(2-methyl-5-nitrophenoxy)pyridine (CID 113413889) is 3,5-dibromo-2-(2-methyl-5-nitrophenoxy)pyridine.
What is the SMILES notation for 3,5-dibromo-2-(2-methyl-5-nitrophenoxy)pyridine?
The canonical SMILES for 3,5-dibromo-2-(2-methyl-5-nitrophenoxy)pyridine is Cc1ccc([N+](=O)[O-])cc1Oc1ncc(Br)cc1Br.
What is the InChIKey of 3,5-dibromo-2-(2-methyl-5-nitrophenoxy)pyridine?
The InChIKey is LZBXVANGCVTIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2N2O3/c1-7-2-3-9(16(17)18)5-11(7)19-12-10(14)4-8(13)6-15-12/h2-6H,1H3.
What are the key properties of 3,5-dibromo-2-(2-methyl-5-nitrophenoxy)pyridine?
3,5-dibromo-2-(2-methyl-5-nitrophenoxy)pyridine 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 3,5-dibromo-2-(2-methyl-5-nitrophenoxy)pyridine is sourced from PubChem (CID 113413889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).