2-(4-bromo-2,5-dichlorophenoxy)-5-methylpyridin-4-amine

C12H9BrCl2N2O — CID 107655311

IUPAC2-(4-bromo-2,5-dichlorophenoxy)-5-methylpyridin-4-amine
SMILESCc1cnc(Oc2cc(Cl)c(Br)cc2Cl)cc1N
InChIInChI=1S/C12H9BrCl2N2O/c1-6-5-17-12(4-10(6)16)18-11-3-8(14)7(13)2-9(11)15/h2-5H,1H3,(H2,16,17)
InChIKeyCSEONUCFMOJNCE-UHFFFAOYSA-N
MW348.03 g/mol
LogP4.83
Rot. Bonds2

About 2-(4-bromo-2,5-dichlorophenoxy)-5-methylpyridin-4-amine

2-(4-bromo-2,5-dichlorophenoxy)-5-methylpyridin-4-amine (PubChem CID 107655311) has the molecular formula C12H9BrCl2N2O and a molecular weight of 348.03 g/mol. Its IUPAC name is 2-(4-bromo-2,5-dichlorophenoxy)-5-methylpyridin-4-amine.

Molecular Properties

Compound Name2-(4-bromo-2,5-dichlorophenoxy)-5-methylpyridin-4-amine
PubChem CID107655311
Molecular FormulaC12H9BrCl2N2O
Molecular Weight348.03 g/mol
Exact Mass345.93
IUPAC Name2-(4-bromo-2,5-dichlorophenoxy)-5-methylpyridin-4-amine
SMILESCc1cnc(Oc2cc(Cl)c(Br)cc2Cl)cc1N
InChIInChI=1S/C12H9BrCl2N2O/c1-6-5-17-12(4-10(6)16)18-11-3-8(14)7(13)2-9(11)15/h2-5H,1H3,(H2,16,17)
InChIKeyCSEONUCFMOJNCE-UHFFFAOYSA-N
XLogP4.83
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.03
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-methyl-2-(2-methylphenoxy)pyridin-4-amine
CID 83266263
4-(4-bromo-2,5-dichlorophenoxy)-6-chloro-2-methylpyrimidine
CID 107657822
5-bromo-2-(2-chloro-5-methylphenoxy)-4-methylpyridine
CID 114870687
6-(2-chloro-4-methylphenoxy)-4-methylpyridin-3-amine
CID 79176554
1-[2-(4-bromo-2,5-dichlorophenoxy)-4-pyridinyl]ethanamine
CID 107658732
1-[6-(4-bromo-2,5-dichlorophenoxy)-3-pyridinyl]ethanol
CID 107659083
6-(2-chlorophenoxy)-4-methylpyridin-3-amine
CID 79020774
[6-(4-bromo-2,5-dichlorophenoxy)-3-pyridinyl]methanol
CID 107659076
4-(4-bromo-2,5-dichlorophenoxy)-6-(trifluoromethyl)pyridin-3-amine
CID 107655360
4-(4-bromo-2,5-dichlorophenoxy)-5-fluoropyrimidin-2-amine
CID 107662603
5-methyl-2-(2-phenylphenoxy)pyridin-4-amine
CID 83269682
2-(4-bromo-2,5-dichlorophenoxy)-4-(chloromethyl)pyridine
CID 107660062

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,5-dichlorophenoxy)-5-methylpyridin-4-amine?
The IUPAC name of 2-(4-bromo-2,5-dichlorophenoxy)-5-methylpyridin-4-amine (CID 107655311) is 2-(4-bromo-2,5-dichlorophenoxy)-5-methylpyridin-4-amine.
What is the SMILES notation for 2-(4-bromo-2,5-dichlorophenoxy)-5-methylpyridin-4-amine?
The canonical SMILES for 2-(4-bromo-2,5-dichlorophenoxy)-5-methylpyridin-4-amine is Cc1cnc(Oc2cc(Cl)c(Br)cc2Cl)cc1N.
What is the InChIKey of 2-(4-bromo-2,5-dichlorophenoxy)-5-methylpyridin-4-amine?
The InChIKey is CSEONUCFMOJNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrCl2N2O/c1-6-5-17-12(4-10(6)16)18-11-3-8(14)7(13)2-9(11)15/h2-5H,1H3,(H2,16,17).
What are the key properties of 2-(4-bromo-2,5-dichlorophenoxy)-5-methylpyridin-4-amine?
2-(4-bromo-2,5-dichlorophenoxy)-5-methylpyridin-4-amine has a molecular weight of 348.03 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,5-dichlorophenoxy)-5-methylpyridin-4-amine is sourced from PubChem (CID 107655311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).