5-bromo-6-(5-bromo-2-chlorophenoxy)-4-methylpyridin-3-amine

C12H9Br2ClN2O — CID 104507356

IUPAC5-bromo-6-(5-bromo-2-chlorophenoxy)-4-methylpyridin-3-amine
SMILESCc1c(N)cnc(Oc2cc(Br)ccc2Cl)c1Br
InChIInChI=1S/C12H9Br2ClN2O/c1-6-9(16)5-17-12(11(6)14)18-10-4-7(13)2-3-8(10)15/h2-5H,16H2,1H3
InChIKeyHJTSGDSIBBBUHG-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.94
Rot. Bonds2

About 5-bromo-6-(5-bromo-2-chlorophenoxy)-4-methylpyridin-3-amine

5-bromo-6-(5-bromo-2-chlorophenoxy)-4-methylpyridin-3-amine (PubChem CID 104507356) has the molecular formula C12H9Br2ClN2O and a molecular weight of 392.48 g/mol. Its IUPAC name is 5-bromo-6-(5-bromo-2-chlorophenoxy)-4-methylpyridin-3-amine.

Molecular Properties

Compound Name5-bromo-6-(5-bromo-2-chlorophenoxy)-4-methylpyridin-3-amine
PubChem CID104507356
Molecular FormulaC12H9Br2ClN2O
Molecular Weight392.48 g/mol
Exact Mass389.88
IUPAC Name5-bromo-6-(5-bromo-2-chlorophenoxy)-4-methylpyridin-3-amine
SMILESCc1c(N)cnc(Oc2cc(Br)ccc2Cl)c1Br
InChIInChI=1S/C12H9Br2ClN2O/c1-6-9(16)5-17-12(11(6)14)18-10-4-7(13)2-3-8(10)15/h2-5H,16H2,1H3
InChIKeyHJTSGDSIBBBUHG-UHFFFAOYSA-N
XLogP4.94
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-6-(2,4-dichlorophenoxy)-4-methylpyridin-3-amine
CID 104507237
5-bromo-6-(4-chloro-3-fluorophenoxy)-4-methylpyridin-3-amine
CID 113420590
5-bromo-6-(3-chloro-2-fluorophenoxy)-4-methylpyridin-3-amine
CID 116688640
4-(5-bromo-2-chlorophenoxy)-5-chloropyrimidin-2-amine
CID 80880367
5-bromo-4-(5-bromo-2-chlorophenoxy)pyrimidin-2-amine
CID 80880013
2-[6-(5-bromo-2-chlorophenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 80639815
5-bromo-4-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyridin-3-amine
CID 104507226
5-bromo-6-(3-iodophenoxy)-4-methylpyridin-3-amine
CID 104507301
5-bromo-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-methylpyridin-3-amine
CID 103174438
5-bromo-4-methyl-6-[2-(trifluoromethyl)phenoxy]pyridin-3-amine
CID 104507209
5-bromo-6-(3-ethoxyphenoxy)-4-methylpyridin-3-amine
CID 104507343
2-(5-bromo-2-methylphenoxy)-3,5-dichloropyridine
CID 107284494

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(5-bromo-2-chlorophenoxy)-4-methylpyridin-3-amine?
The IUPAC name of 5-bromo-6-(5-bromo-2-chlorophenoxy)-4-methylpyridin-3-amine (CID 104507356) is 5-bromo-6-(5-bromo-2-chlorophenoxy)-4-methylpyridin-3-amine.
What is the SMILES notation for 5-bromo-6-(5-bromo-2-chlorophenoxy)-4-methylpyridin-3-amine?
The canonical SMILES for 5-bromo-6-(5-bromo-2-chlorophenoxy)-4-methylpyridin-3-amine is Cc1c(N)cnc(Oc2cc(Br)ccc2Cl)c1Br.
What is the InChIKey of 5-bromo-6-(5-bromo-2-chlorophenoxy)-4-methylpyridin-3-amine?
The InChIKey is HJTSGDSIBBBUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2ClN2O/c1-6-9(16)5-17-12(11(6)14)18-10-4-7(13)2-3-8(10)15/h2-5H,16H2,1H3.
What are the key properties of 5-bromo-6-(5-bromo-2-chlorophenoxy)-4-methylpyridin-3-amine?
5-bromo-6-(5-bromo-2-chlorophenoxy)-4-methylpyridin-3-amine has a molecular weight of 392.48 g/mol, XLogP of 4.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(5-bromo-2-chlorophenoxy)-4-methylpyridin-3-amine is sourced from PubChem (CID 104507356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).