4-bromo-3-[(5-bromo-4-methyl-2-pyridinyl)oxy]aniline

C12H10Br2N2O — CID 103011810

IUPAC4-bromo-3-[(5-bromo-4-methyl-2-pyridinyl)oxy]aniline
SMILESCc1cc(Oc2cc(N)ccc2Br)ncc1Br
InChIInChI=1S/C12H10Br2N2O/c1-7-4-12(16-6-10(7)14)17-11-5-8(15)2-3-9(11)13/h2-6H,15H2,1H3
InChIKeyZWGLKLBVALWZMT-UHFFFAOYSA-N
MW358.03 g/mol
LogP4.29
Rot. Bonds2

About 4-bromo-3-[(5-bromo-4-methyl-2-pyridinyl)oxy]aniline

4-bromo-3-[(5-bromo-4-methyl-2-pyridinyl)oxy]aniline (PubChem CID 103011810) has the molecular formula C12H10Br2N2O and a molecular weight of 358.03 g/mol. Its IUPAC name is 4-bromo-3-[(5-bromo-4-methyl-2-pyridinyl)oxy]aniline.

Molecular Properties

Compound Name4-bromo-3-[(5-bromo-4-methyl-2-pyridinyl)oxy]aniline
PubChem CID103011810
Molecular FormulaC12H10Br2N2O
Molecular Weight358.03 g/mol
Exact Mass355.92
IUPAC Name4-bromo-3-[(5-bromo-4-methyl-2-pyridinyl)oxy]aniline
SMILESCc1cc(Oc2cc(N)ccc2Br)ncc1Br
InChIInChI=1S/C12H10Br2N2O/c1-7-4-12(16-6-10(7)14)17-11-5-8(15)2-3-9(11)13/h2-6H,15H2,1H3
InChIKeyZWGLKLBVALWZMT-UHFFFAOYSA-N
XLogP4.29
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.03
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(5-bromo-4-methyl-2-pyridinyl)oxy]-5-methylaniline
CID 114869421
5-bromo-2-(2-bromo-5-nitrophenoxy)-4-methylpyridine
CID 103011961
5-bromo-2-(2-bromo-4-fluorophenoxy)-4-methylpyridine
CID 114869079
5-bromo-2-(2-methoxyphenoxy)-4-methylpyridine
CID 114870629
5-bromo-2-(2,4-difluorophenoxy)-4-methylpyridine
CID 114870597
5-bromo-2-(2-chloro-5-methylphenoxy)-4-methylpyridine
CID 114870687
4-bromo-3-(5-bromopyrimidin-2-yl)oxyaniline
CID 103011509
5-bromo-4-methyl-2-(4-methylphenoxy)pyridine
CID 114870650
8-[(5-bromo-4-methyl-2-pyridinyl)oxy]-2-methylquinoline
CID 114870685
[2-[(5-bromo-4-methyl-2-pyridinyl)oxy]-6-chlorophenyl]methanamine
CID 114869765
5-bromo-2-methoxy-4-methylpyridine;ethane
CID 145360163
6-(5-bromo-2-methylphenoxy)pyridin-3-amine
CID 107283348

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[(5-bromo-4-methyl-2-pyridinyl)oxy]aniline?
The IUPAC name of 4-bromo-3-[(5-bromo-4-methyl-2-pyridinyl)oxy]aniline (CID 103011810) is 4-bromo-3-[(5-bromo-4-methyl-2-pyridinyl)oxy]aniline.
What is the SMILES notation for 4-bromo-3-[(5-bromo-4-methyl-2-pyridinyl)oxy]aniline?
The canonical SMILES for 4-bromo-3-[(5-bromo-4-methyl-2-pyridinyl)oxy]aniline is Cc1cc(Oc2cc(N)ccc2Br)ncc1Br.
What is the InChIKey of 4-bromo-3-[(5-bromo-4-methyl-2-pyridinyl)oxy]aniline?
The InChIKey is ZWGLKLBVALWZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2O/c1-7-4-12(16-6-10(7)14)17-11-5-8(15)2-3-9(11)13/h2-6H,15H2,1H3.
What are the key properties of 4-bromo-3-[(5-bromo-4-methyl-2-pyridinyl)oxy]aniline?
4-bromo-3-[(5-bromo-4-methyl-2-pyridinyl)oxy]aniline has a molecular weight of 358.03 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-[(5-bromo-4-methyl-2-pyridinyl)oxy]aniline is sourced from PubChem (CID 103011810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).