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

C13H13BrN2O2 — CID 105367213

IUPAC2-[(3-bromo-5-methyl-2-pyridinyl)oxy]-5-methoxyaniline
SMILESCOc1ccc(Oc2ncc(C)cc2Br)c(N)c1
InChIInChI=1S/C13H13BrN2O2/c1-8-5-10(14)13(16-7-8)18-12-4-3-9(17-2)6-11(12)15/h3-7H,15H2,1-2H3
InChIKeyVUPOKKXXXJFOMQ-UHFFFAOYSA-N
MW309.16 g/mol
LogP3.54
Rot. Bonds3

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

2-[(3-bromo-5-methyl-2-pyridinyl)oxy]-5-methoxyaniline (PubChem CID 105367213) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is 2-[(3-bromo-5-methyl-2-pyridinyl)oxy]-5-methoxyaniline.

Molecular Properties

Compound Name2-[(3-bromo-5-methyl-2-pyridinyl)oxy]-5-methoxyaniline
PubChem CID105367213
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name2-[(3-bromo-5-methyl-2-pyridinyl)oxy]-5-methoxyaniline
SMILESCOc1ccc(Oc2ncc(C)cc2Br)c(N)c1
InChIInChI=1S/C13H13BrN2O2/c1-8-5-10(14)13(16-7-8)18-12-4-3-9(17-2)6-11(12)15/h3-7H,15H2,1-2H3
InChIKeyVUPOKKXXXJFOMQ-UHFFFAOYSA-N
XLogP3.54
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(3-bromo-5-methyl-2-pyridinyl)oxy]-2-methoxyaniline
CID 103201979
2-[(3,5-dibromo-2-pyridinyl)oxy]-5-methoxyaniline
CID 113413727
3-[(3-bromo-5-methyl-2-pyridinyl)oxy]-2-methylaniline
CID 105367219
3-bromo-2-(2,5-dibromo-4-methoxyphenoxy)-5-methylpyridine
CID 105368353
5-bromo-6-(2-tert-butyl-4-methoxyphenoxy)pyridin-3-amine
CID 79530705
5-bromo-6-(4-methoxyphenoxy)pyridin-3-amine
CID 79535113
3-bromo-2-(4-fluorophenoxy)-5-methylpyridine
CID 105368202
3-bromo-2-(2-bromo-4-chlorophenoxy)-5-methylpyridine
CID 105368214
2-(5-bromopyrimidin-4-yl)oxy-4-methoxyaniline
CID 102703005
4-(2-bromo-4-methoxyphenoxy)pyrimidin-5-amine
CID 104706575
3-bromo-2-(3,4-difluorophenoxy)-5-methylpyridine
CID 105368266
2-(5-bromopyrimidin-4-yl)oxy-5-methylaniline
CID 66342175

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-5-methyl-2-pyridinyl)oxy]-5-methoxyaniline?
The IUPAC name of 2-[(3-bromo-5-methyl-2-pyridinyl)oxy]-5-methoxyaniline (CID 105367213) is 2-[(3-bromo-5-methyl-2-pyridinyl)oxy]-5-methoxyaniline.
What is the SMILES notation for 2-[(3-bromo-5-methyl-2-pyridinyl)oxy]-5-methoxyaniline?
The canonical SMILES for 2-[(3-bromo-5-methyl-2-pyridinyl)oxy]-5-methoxyaniline is COc1ccc(Oc2ncc(C)cc2Br)c(N)c1.
What is the InChIKey of 2-[(3-bromo-5-methyl-2-pyridinyl)oxy]-5-methoxyaniline?
The InChIKey is VUPOKKXXXJFOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c1-8-5-10(14)13(16-7-8)18-12-4-3-9(17-2)6-11(12)15/h3-7H,15H2,1-2H3.
What are the key properties of 2-[(3-bromo-5-methyl-2-pyridinyl)oxy]-5-methoxyaniline?
2-[(3-bromo-5-methyl-2-pyridinyl)oxy]-5-methoxyaniline has a molecular weight of 309.16 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-5-methyl-2-pyridinyl)oxy]-5-methoxyaniline is sourced from PubChem (CID 105367213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).