2-[(4-bromo-2-chlorophenoxy)methyl]-4-chloropyridine

C12H8BrCl2NO — CID 79255856

IUPAC2-[(4-bromo-2-chlorophenoxy)methyl]-4-chloropyridine
SMILESClc1ccnc(COc2ccc(Br)cc2Cl)c1
InChIInChI=1S/C12H8BrCl2NO/c13-8-1-2-12(11(15)5-8)17-7-10-6-9(14)3-4-16-10/h1-6H,7H2
InChIKeyCPHPCPPVNCCZCQ-UHFFFAOYSA-N
MW333.01 g/mol
LogP4.73
Rot. Bonds3

About 2-[(4-bromo-2-chlorophenoxy)methyl]-4-chloropyridine

2-[(4-bromo-2-chlorophenoxy)methyl]-4-chloropyridine (PubChem CID 79255856) has the molecular formula C12H8BrCl2NO and a molecular weight of 333.01 g/mol. Its IUPAC name is 2-[(4-bromo-2-chlorophenoxy)methyl]-4-chloropyridine.

Molecular Properties

Compound Name2-[(4-bromo-2-chlorophenoxy)methyl]-4-chloropyridine
PubChem CID79255856
Molecular FormulaC12H8BrCl2NO
Molecular Weight333.01 g/mol
Exact Mass330.92
IUPAC Name2-[(4-bromo-2-chlorophenoxy)methyl]-4-chloropyridine
SMILESClc1ccnc(COc2ccc(Br)cc2Cl)c1
InChIInChI=1S/C12H8BrCl2NO/c13-8-1-2-12(11(15)5-8)17-7-10-6-9(14)3-4-16-10/h1-6H,7H2
InChIKeyCPHPCPPVNCCZCQ-UHFFFAOYSA-N
XLogP4.73
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.01
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-[(2,4-dichlorophenoxy)methyl]pyridine;(4-bromo-2-pyridinyl)methanol
CID 167650067
6-[(4-bromo-2-chlorophenoxy)methyl]pyridin-2-amine
CID 79238776
2-[(4-bromo-2-chlorophenoxy)methyl]-5-chloroaniline
CID 63459720
5-bromo-2-[(2-bromo-4-chlorophenoxy)methyl]pyridine
CID 104809665
4-bromo-2-chloro-1-[(4-iodophenyl)methoxy]benzene
CID 65490138
2-[(4-bromo-2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine
CID 112779233
4-[(4-bromo-2-chlorophenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 43664287
[3-[(4-bromo-2-chlorophenoxy)methyl]-4-fluorophenyl]methanamine
CID 43531259
2-bromo-5-[(4-bromo-2-chlorophenoxy)methyl]thiophene
CID 55219495
2-(4-bromo-2-chlorophenoxy)ethanol
CID 23090761
4-[(4-chloro-2-pyridinyl)methoxy]aniline
CID 79244468
5-bromo-2-[[4-(bromomethyl)-2-chlorophenoxy]methyl]pyridine
CID 104799142

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-chlorophenoxy)methyl]-4-chloropyridine?
The IUPAC name of 2-[(4-bromo-2-chlorophenoxy)methyl]-4-chloropyridine (CID 79255856) is 2-[(4-bromo-2-chlorophenoxy)methyl]-4-chloropyridine.
What is the SMILES notation for 2-[(4-bromo-2-chlorophenoxy)methyl]-4-chloropyridine?
The canonical SMILES for 2-[(4-bromo-2-chlorophenoxy)methyl]-4-chloropyridine is Clc1ccnc(COc2ccc(Br)cc2Cl)c1.
What is the InChIKey of 2-[(4-bromo-2-chlorophenoxy)methyl]-4-chloropyridine?
The InChIKey is CPHPCPPVNCCZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrCl2NO/c13-8-1-2-12(11(15)5-8)17-7-10-6-9(14)3-4-16-10/h1-6H,7H2.
What are the key properties of 2-[(4-bromo-2-chlorophenoxy)methyl]-4-chloropyridine?
2-[(4-bromo-2-chlorophenoxy)methyl]-4-chloropyridine has a molecular weight of 333.01 g/mol, XLogP of 4.73, 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-chlorophenoxy)methyl]-4-chloropyridine is sourced from PubChem (CID 79255856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).