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

C13H13BrN2O2 — CID 103201979

IUPAC5-[(3-bromo-5-methyl-2-pyridinyl)oxy]-2-methoxyaniline
SMILESCOc1ccc(Oc2ncc(C)cc2Br)cc1N
InChIInChI=1S/C13H13BrN2O2/c1-8-5-10(14)13(16-7-8)18-9-3-4-12(17-2)11(15)6-9/h3-7H,15H2,1-2H3
InChIKeyKEYJDCHWMGLRMN-UHFFFAOYSA-N
MW309.16 g/mol
LogP3.54
Rot. Bonds3

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

5-[(3-bromo-5-methyl-2-pyridinyl)oxy]-2-methoxyaniline (PubChem CID 103201979) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is 5-[(3-bromo-5-methyl-2-pyridinyl)oxy]-2-methoxyaniline.

Molecular Properties

Compound Name5-[(3-bromo-5-methyl-2-pyridinyl)oxy]-2-methoxyaniline
PubChem CID103201979
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name5-[(3-bromo-5-methyl-2-pyridinyl)oxy]-2-methoxyaniline
SMILESCOc1ccc(Oc2ncc(C)cc2Br)cc1N
InChIInChI=1S/C13H13BrN2O2/c1-8-5-10(14)13(16-7-8)18-9-3-4-12(17-2)11(15)6-9/h3-7H,15H2,1-2H3
InChIKeyKEYJDCHWMGLRMN-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

2-[(3-bromo-5-methyl-2-pyridinyl)oxy]-5-methoxyaniline
CID 105367213
2-[(3,5-dibromo-2-pyridinyl)oxy]-5-methoxyaniline
CID 113413727
3-bromo-2-(2,5-dibromo-4-methoxyphenoxy)-5-methylpyridine
CID 105368353
3-bromo-2-(3,4-difluorophenoxy)-5-methylpyridine
CID 105368266
3-bromo-2-(4-fluorophenoxy)-5-methylpyridine
CID 105368202
3-[(3-bromo-5-methyl-2-pyridinyl)oxy]-2-methylaniline
CID 105367219
3-bromo-2-(4-chloro-3-methylphenoxy)-5-methylpyridine
CID 105368164
5-bromo-6-(4-methoxyphenoxy)pyridin-3-amine
CID 79535113
4-[(3-bromo-5-methyl-2-pyridinyl)oxy]benzonitrile
CID 105368203
3-bromo-2-(2-bromo-4-chlorophenoxy)-5-methylpyridine
CID 105368214
4-(2-bromo-4-methylphenoxy)-2-methoxyaniline
CID 55232767
2,5-diazabicyclo[2.2.0]hexa-1(6),2,4-triene;2,5-dimethoxyaniline
CID 70450915

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-5-methyl-2-pyridinyl)oxy]-2-methoxyaniline?
The IUPAC name of 5-[(3-bromo-5-methyl-2-pyridinyl)oxy]-2-methoxyaniline (CID 103201979) is 5-[(3-bromo-5-methyl-2-pyridinyl)oxy]-2-methoxyaniline.
What is the SMILES notation for 5-[(3-bromo-5-methyl-2-pyridinyl)oxy]-2-methoxyaniline?
The canonical SMILES for 5-[(3-bromo-5-methyl-2-pyridinyl)oxy]-2-methoxyaniline is COc1ccc(Oc2ncc(C)cc2Br)cc1N.
What is the InChIKey of 5-[(3-bromo-5-methyl-2-pyridinyl)oxy]-2-methoxyaniline?
The InChIKey is KEYJDCHWMGLRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c1-8-5-10(14)13(16-7-8)18-9-3-4-12(17-2)11(15)6-9/h3-7H,15H2,1-2H3.
What are the key properties of 5-[(3-bromo-5-methyl-2-pyridinyl)oxy]-2-methoxyaniline?
5-[(3-bromo-5-methyl-2-pyridinyl)oxy]-2-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 5-[(3-bromo-5-methyl-2-pyridinyl)oxy]-2-methoxyaniline is sourced from PubChem (CID 103201979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).