6-(5-bromo-2-methylphenoxy)-3,5-dichloro-N-methylpyridin-2-amine

C13H11BrCl2N2O — CID 107287594

IUPAC6-(5-bromo-2-methylphenoxy)-3,5-dichloro-N-methylpyridin-2-amine
SMILESCNc1nc(Oc2cc(Br)ccc2C)c(Cl)cc1Cl
InChIInChI=1S/C13H11BrCl2N2O/c1-7-3-4-8(14)5-11(7)19-13-10(16)6-9(15)12(17-2)18-13/h3-6H,1-2H3,(H,17,18)
InChIKeyMJXAFZDROMSRCO-UHFFFAOYSA-N
MW362.05 g/mol
LogP5.29
Rot. Bonds3

About 6-(5-bromo-2-methylphenoxy)-3,5-dichloro-N-methylpyridin-2-amine

6-(5-bromo-2-methylphenoxy)-3,5-dichloro-N-methylpyridin-2-amine (PubChem CID 107287594) has the molecular formula C13H11BrCl2N2O and a molecular weight of 362.05 g/mol. Its IUPAC name is 6-(5-bromo-2-methylphenoxy)-3,5-dichloro-N-methylpyridin-2-amine.

Molecular Properties

Compound Name6-(5-bromo-2-methylphenoxy)-3,5-dichloro-N-methylpyridin-2-amine
PubChem CID107287594
Molecular FormulaC13H11BrCl2N2O
Molecular Weight362.05 g/mol
Exact Mass359.94
IUPAC Name6-(5-bromo-2-methylphenoxy)-3,5-dichloro-N-methylpyridin-2-amine
SMILESCNc1nc(Oc2cc(Br)ccc2C)c(Cl)cc1Cl
InChIInChI=1S/C13H11BrCl2N2O/c1-7-3-4-8(14)5-11(7)19-13-10(16)6-9(15)12(17-2)18-13/h3-6H,1-2H3,(H,17,18)
InChIKeyMJXAFZDROMSRCO-UHFFFAOYSA-N
XLogP5.29
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.05
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(5-bromo-2-methylphenoxy)-N,2,5-trimethylpyrimidin-4-amine
CID 107287427
3,5-dichloro-N-methyl-6-(2,4,5-trichlorophenoxy)pyridin-2-amine
CID 102760562
3,5-dichloro-N-methyl-6-(2,3,5-trimethylphenoxy)pyridin-2-amine
CID 102760749
3,5-dichloro-6-(3-fluoro-4-methylphenoxy)-N-methylpyridin-2-amine
CID 107171841
6-(5-bromo-2-methylphenoxy)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 107287481
2-(5-bromo-2-methylphenoxy)-3,5-dichloropyridine
CID 107284494
2-(5-bromo-2-methylphenoxy)-6-chloropyridin-3-amine
CID 107283340
6-N-(5-bromo-2-chlorophenyl)-3,5-dichloro-2-N-methylpyridine-2,6-diamine
CID 102758019
3,5-dichloro-N-methyl-6-(2-propan-2-ylphenoxy)pyridin-2-amine
CID 102760710
4-(5-bromo-2-chlorophenoxy)-N,5-dimethylpyrimidin-2-amine
CID 80878835
3,5-dichloro-6-(5-fluoro-2-methylphenoxy)-N-propylpyridin-2-amine
CID 102989029
4-(5-bromo-2-chlorophenoxy)-5-chloro-N-methylpyrimidin-2-amine
CID 80879248

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-2-methylphenoxy)-3,5-dichloro-N-methylpyridin-2-amine?
The IUPAC name of 6-(5-bromo-2-methylphenoxy)-3,5-dichloro-N-methylpyridin-2-amine (CID 107287594) is 6-(5-bromo-2-methylphenoxy)-3,5-dichloro-N-methylpyridin-2-amine.
What is the SMILES notation for 6-(5-bromo-2-methylphenoxy)-3,5-dichloro-N-methylpyridin-2-amine?
The canonical SMILES for 6-(5-bromo-2-methylphenoxy)-3,5-dichloro-N-methylpyridin-2-amine is CNc1nc(Oc2cc(Br)ccc2C)c(Cl)cc1Cl.
What is the InChIKey of 6-(5-bromo-2-methylphenoxy)-3,5-dichloro-N-methylpyridin-2-amine?
The InChIKey is MJXAFZDROMSRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrCl2N2O/c1-7-3-4-8(14)5-11(7)19-13-10(16)6-9(15)12(17-2)18-13/h3-6H,1-2H3,(H,17,18).
What are the key properties of 6-(5-bromo-2-methylphenoxy)-3,5-dichloro-N-methylpyridin-2-amine?
6-(5-bromo-2-methylphenoxy)-3,5-dichloro-N-methylpyridin-2-amine has a molecular weight of 362.05 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-2-methylphenoxy)-3,5-dichloro-N-methylpyridin-2-amine is sourced from PubChem (CID 107287594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).