5-bromo-2-[(5-bromo-6-methyl-2-pyridinyl)oxy]aniline

C12H10Br2N2O — CID 114047333

IUPAC5-bromo-2-[(5-bromo-6-methyl-2-pyridinyl)oxy]aniline
SMILESCc1nc(Oc2ccc(Br)cc2N)ccc1Br
InChIInChI=1S/C12H10Br2N2O/c1-7-9(14)3-5-12(16-7)17-11-4-2-8(13)6-10(11)15/h2-6H,15H2,1H3
InChIKeyJVAMRWOJPPSPNQ-UHFFFAOYSA-N
MW358.03 g/mol
LogP4.29
Rot. Bonds2

About 5-bromo-2-[(5-bromo-6-methyl-2-pyridinyl)oxy]aniline

5-bromo-2-[(5-bromo-6-methyl-2-pyridinyl)oxy]aniline (PubChem CID 114047333) has the molecular formula C12H10Br2N2O and a molecular weight of 358.03 g/mol. Its IUPAC name is 5-bromo-2-[(5-bromo-6-methyl-2-pyridinyl)oxy]aniline.

Molecular Properties

Compound Name5-bromo-2-[(5-bromo-6-methyl-2-pyridinyl)oxy]aniline
PubChem CID114047333
Molecular FormulaC12H10Br2N2O
Molecular Weight358.03 g/mol
Exact Mass355.92
IUPAC Name5-bromo-2-[(5-bromo-6-methyl-2-pyridinyl)oxy]aniline
SMILESCc1nc(Oc2ccc(Br)cc2N)ccc1Br
InChIInChI=1S/C12H10Br2N2O/c1-7-9(14)3-5-12(16-7)17-11-4-2-8(13)6-10(11)15/h2-6H,15H2,1H3
InChIKeyJVAMRWOJPPSPNQ-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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(5-bromo-6-methyl-2-pyridinyl)oxy]aniline?
The IUPAC name of 5-bromo-2-[(5-bromo-6-methyl-2-pyridinyl)oxy]aniline (CID 114047333) is 5-bromo-2-[(5-bromo-6-methyl-2-pyridinyl)oxy]aniline.
What is the SMILES notation for 5-bromo-2-[(5-bromo-6-methyl-2-pyridinyl)oxy]aniline?
The canonical SMILES for 5-bromo-2-[(5-bromo-6-methyl-2-pyridinyl)oxy]aniline is Cc1nc(Oc2ccc(Br)cc2N)ccc1Br.
What is the InChIKey of 5-bromo-2-[(5-bromo-6-methyl-2-pyridinyl)oxy]aniline?
The InChIKey is JVAMRWOJPPSPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2O/c1-7-9(14)3-5-12(16-7)17-11-4-2-8(13)6-10(11)15/h2-6H,15H2,1H3.
What are the key properties of 5-bromo-2-[(5-bromo-6-methyl-2-pyridinyl)oxy]aniline?
5-bromo-2-[(5-bromo-6-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 5-bromo-2-[(5-bromo-6-methyl-2-pyridinyl)oxy]aniline is sourced from PubChem (CID 114047333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).