2-[(3,5-dibromo-2-pyridinyl)oxy]-5-methoxyaniline

C12H10Br2N2O2 — CID 113413727

IUPAC2-[(3,5-dibromo-2-pyridinyl)oxy]-5-methoxyaniline
SMILESCOc1ccc(Oc2ncc(Br)cc2Br)c(N)c1
InChIInChI=1S/C12H10Br2N2O2/c1-17-8-2-3-11(10(15)5-8)18-12-9(14)4-7(13)6-16-12/h2-6H,15H2,1H3
InChIKeyBJYYBOJQKOVBMW-UHFFFAOYSA-N
MW374.03 g/mol
LogP3.99
Rot. Bonds3

About 2-[(3,5-dibromo-2-pyridinyl)oxy]-5-methoxyaniline

2-[(3,5-dibromo-2-pyridinyl)oxy]-5-methoxyaniline (PubChem CID 113413727) has the molecular formula C12H10Br2N2O2 and a molecular weight of 374.03 g/mol. Its IUPAC name is 2-[(3,5-dibromo-2-pyridinyl)oxy]-5-methoxyaniline.

Molecular Properties

Compound Name2-[(3,5-dibromo-2-pyridinyl)oxy]-5-methoxyaniline
PubChem CID113413727
Molecular FormulaC12H10Br2N2O2
Molecular Weight374.03 g/mol
Exact Mass371.91
IUPAC Name2-[(3,5-dibromo-2-pyridinyl)oxy]-5-methoxyaniline
SMILESCOc1ccc(Oc2ncc(Br)cc2Br)c(N)c1
InChIInChI=1S/C12H10Br2N2O2/c1-17-8-2-3-11(10(15)5-8)18-12-9(14)4-7(13)6-16-12/h2-6H,15H2,1H3
InChIKeyBJYYBOJQKOVBMW-UHFFFAOYSA-N
XLogP3.99
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.03
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(3,5-dibromo-2-pyridinyl)oxy]-5-methoxyaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-bromo-5-methyl-2-pyridinyl)oxy]-5-methoxyaniline
CID 105367213
5-[(3-bromo-5-methyl-2-pyridinyl)oxy]-2-methoxyaniline
CID 103201979
5-bromo-6-(2-tert-butyl-4-methoxyphenoxy)pyridin-3-amine
CID 79530705
5-bromo-6-(4-methoxyphenoxy)pyridin-3-amine
CID 79535113
2-[(5-bromo-3-chloro-2-pyridinyl)oxy]-5-methylaniline
CID 103582678
4-(2-bromo-4-methoxyphenoxy)pyrimidin-5-amine
CID 104706575
2-(5-bromopyrimidin-4-yl)oxy-4-methoxyaniline
CID 102703005
5-bromo-2-(3,5-dimethoxyphenoxy)pyridin-3-amine
CID 61227912
5-bromo-2-(4-methoxyphenoxy)aniline
CID 26190467
2,5-diazabicyclo[2.2.0]hexa-1(6),2,4-triene;2,5-dimethoxyaniline
CID 70450915
4-[(3,5-dibromo-2-pyridinyl)oxy]-5-fluoro-2-methylaniline
CID 114417661
2-(2-bromo-4-methoxyphenoxy)-5-chloroaniline
CID 113443527

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dibromo-2-pyridinyl)oxy]-5-methoxyaniline?
The IUPAC name of 2-[(3,5-dibromo-2-pyridinyl)oxy]-5-methoxyaniline (CID 113413727) is 2-[(3,5-dibromo-2-pyridinyl)oxy]-5-methoxyaniline.
What is the SMILES notation for 2-[(3,5-dibromo-2-pyridinyl)oxy]-5-methoxyaniline?
The canonical SMILES for 2-[(3,5-dibromo-2-pyridinyl)oxy]-5-methoxyaniline is COc1ccc(Oc2ncc(Br)cc2Br)c(N)c1.
What is the InChIKey of 2-[(3,5-dibromo-2-pyridinyl)oxy]-5-methoxyaniline?
The InChIKey is BJYYBOJQKOVBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2O2/c1-17-8-2-3-11(10(15)5-8)18-12-9(14)4-7(13)6-16-12/h2-6H,15H2,1H3.
What are the key properties of 2-[(3,5-dibromo-2-pyridinyl)oxy]-5-methoxyaniline?
2-[(3,5-dibromo-2-pyridinyl)oxy]-5-methoxyaniline has a molecular weight of 374.03 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dibromo-2-pyridinyl)oxy]-5-methoxyaniline is sourced from PubChem (CID 113413727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).