2-(4-bromo-2,5-dichlorophenoxy)-4-(chloromethyl)pyridine

C12H7BrCl3NO — CID 107660062

IUPAC2-(4-bromo-2,5-dichlorophenoxy)-4-(chloromethyl)pyridine
SMILESClCc1ccnc(Oc2cc(Cl)c(Br)cc2Cl)c1
InChIInChI=1S/C12H7BrCl3NO/c13-8-4-10(16)11(5-9(8)15)18-12-3-7(6-14)1-2-17-12/h1-5H,6H2
InChIKeyWETNGROVUYGTLZ-UHFFFAOYSA-N
MW367.46 g/mol
LogP5.68
Rot. Bonds3

About 2-(4-bromo-2,5-dichlorophenoxy)-4-(chloromethyl)pyridine

2-(4-bromo-2,5-dichlorophenoxy)-4-(chloromethyl)pyridine (PubChem CID 107660062) has the molecular formula C12H7BrCl3NO and a molecular weight of 367.46 g/mol. Its IUPAC name is 2-(4-bromo-2,5-dichlorophenoxy)-4-(chloromethyl)pyridine.

Molecular Properties

Compound Name2-(4-bromo-2,5-dichlorophenoxy)-4-(chloromethyl)pyridine
PubChem CID107660062
Molecular FormulaC12H7BrCl3NO
Molecular Weight367.46 g/mol
Exact Mass364.88
IUPAC Name2-(4-bromo-2,5-dichlorophenoxy)-4-(chloromethyl)pyridine
SMILESClCc1ccnc(Oc2cc(Cl)c(Br)cc2Cl)c1
InChIInChI=1S/C12H7BrCl3NO/c13-8-4-10(16)11(5-9(8)15)18-12-3-7(6-14)1-2-17-12/h1-5H,6H2
InChIKeyWETNGROVUYGTLZ-UHFFFAOYSA-N
XLogP5.68
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.46
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-bromo-2,5-dichlorophenoxy)-4-pyridinyl]ethanamine
CID 107658732
2-(5-bromo-2,3-difluorophenoxy)-4-(chloromethyl)pyridine
CID 107100912
[6-(4-bromo-2,5-dichlorophenoxy)-3-pyridinyl]methanol
CID 107659076
4-(chloromethyl)-2-(2,4-difluorophenoxy)pyridine
CID 61267682
2-(3-bromophenoxy)-4-(chloromethyl)pyridine
CID 61267518
4-(chloromethyl)-2-(2-propoxyphenoxy)pyridine
CID 61268969
4-(4-bromo-2,5-dichlorophenoxy)-6-chloro-2-methylpyrimidine
CID 107657822
[2-(2,4-dichlorophenoxy)-4-pyridinyl]methanol
CID 61256718
4-(chloromethyl)-2-methoxypyridine;hydrochloride
CID 22625003
4-(chloromethyl)-2-(4-ethoxyphenoxy)pyridine
CID 61269154
2-(4-bromo-2,5-dichlorophenoxy)-5-methylpyridin-4-amine
CID 107655311
[2-(2-chlorophenoxy)-4-pyridinyl]methanol
CID 61256084

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,5-dichlorophenoxy)-4-(chloromethyl)pyridine?
The IUPAC name of 2-(4-bromo-2,5-dichlorophenoxy)-4-(chloromethyl)pyridine (CID 107660062) is 2-(4-bromo-2,5-dichlorophenoxy)-4-(chloromethyl)pyridine.
What is the SMILES notation for 2-(4-bromo-2,5-dichlorophenoxy)-4-(chloromethyl)pyridine?
The canonical SMILES for 2-(4-bromo-2,5-dichlorophenoxy)-4-(chloromethyl)pyridine is ClCc1ccnc(Oc2cc(Cl)c(Br)cc2Cl)c1.
What is the InChIKey of 2-(4-bromo-2,5-dichlorophenoxy)-4-(chloromethyl)pyridine?
The InChIKey is WETNGROVUYGTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrCl3NO/c13-8-4-10(16)11(5-9(8)15)18-12-3-7(6-14)1-2-17-12/h1-5H,6H2.
What are the key properties of 2-(4-bromo-2,5-dichlorophenoxy)-4-(chloromethyl)pyridine?
2-(4-bromo-2,5-dichlorophenoxy)-4-(chloromethyl)pyridine has a molecular weight of 367.46 g/mol, XLogP of 5.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,5-dichlorophenoxy)-4-(chloromethyl)pyridine is sourced from PubChem (CID 107660062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).