4-(4-bromo-2-chlorophenoxy)-2,3-dichloropyridine

C11H5BrCl3NO — CID 155316701

IUPAC4-(4-bromo-2-chlorophenoxy)-2,3-dichloropyridine
SMILESClc1cc(Br)ccc1Oc1ccnc(Cl)c1Cl
InChIInChI=1S/C11H5BrCl3NO/c12-6-1-2-8(7(13)5-6)17-9-3-4-16-11(15)10(9)14/h1-5H
InChIKeyQWJJZGJVQKMPIF-UHFFFAOYSA-N
MW353.43 g/mol
LogP5.60
Rot. Bonds2

About 4-(4-bromo-2-chlorophenoxy)-2,3-dichloropyridine

4-(4-bromo-2-chlorophenoxy)-2,3-dichloropyridine (PubChem CID 155316701) has the molecular formula C11H5BrCl3NO and a molecular weight of 353.43 g/mol. Its IUPAC name is 4-(4-bromo-2-chlorophenoxy)-2,3-dichloropyridine.

Molecular Properties

Compound Name4-(4-bromo-2-chlorophenoxy)-2,3-dichloropyridine
PubChem CID155316701
Molecular FormulaC11H5BrCl3NO
Molecular Weight353.43 g/mol
Exact Mass350.86
IUPAC Name4-(4-bromo-2-chlorophenoxy)-2,3-dichloropyridine
SMILESClc1cc(Br)ccc1Oc1ccnc(Cl)c1Cl
InChIInChI=1S/C11H5BrCl3NO/c12-6-1-2-8(7(13)5-6)17-9-3-4-16-11(15)10(9)14/h1-5H
InChIKeyQWJJZGJVQKMPIF-UHFFFAOYSA-N
XLogP5.60
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.43
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,3-dichloro-4-(2-chloro-4-iodophenoxy)pyridine
CID 134813639
4-bromo-2-(4-bromo-2-chlorophenoxy)benzaldehyde
CID 43364723
2-(4-bromo-2-chlorophenoxy)-5-chlorobenzaldehyde
CID 114844783
6-(4-bromo-2-chlorophenoxy)pyridine-3-carbaldehyde
CID 80631140
2-(4-bromo-2-chlorophenoxy)pyrimidin-5-amine
CID 61145640
2-(4-bromo-2-chlorophenoxy)pyridine-4-carbothioamide
CID 28893016
[4-(4-bromo-2-chlorophenoxy)-3-chlorophenyl]methanamine
CID 63458084
2-[(4-bromo-2-chlorophenoxy)methyl]-4-chloropyridine
CID 79255856
4-(4-bromo-2-chlorophenoxy)-6-chloro-5-ethylpyrimidine
CID 63735722
2-chloro-3-(2,4-dibromophenoxy)pyrazine
CID 64719536
2-(4-bromo-2-chlorophenoxy)-6-chloropyridine
CID 60727021
N-[[4-(4-bromo-2-chlorophenoxy)-3-pyridinyl]methyl]ethanamine
CID 81251297

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-chlorophenoxy)-2,3-dichloropyridine?
The IUPAC name of 4-(4-bromo-2-chlorophenoxy)-2,3-dichloropyridine (CID 155316701) is 4-(4-bromo-2-chlorophenoxy)-2,3-dichloropyridine.
What is the SMILES notation for 4-(4-bromo-2-chlorophenoxy)-2,3-dichloropyridine?
The canonical SMILES for 4-(4-bromo-2-chlorophenoxy)-2,3-dichloropyridine is Clc1cc(Br)ccc1Oc1ccnc(Cl)c1Cl.
What is the InChIKey of 4-(4-bromo-2-chlorophenoxy)-2,3-dichloropyridine?
The InChIKey is QWJJZGJVQKMPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrCl3NO/c12-6-1-2-8(7(13)5-6)17-9-3-4-16-11(15)10(9)14/h1-5H.
What are the key properties of 4-(4-bromo-2-chlorophenoxy)-2,3-dichloropyridine?
4-(4-bromo-2-chlorophenoxy)-2,3-dichloropyridine has a molecular weight of 353.43 g/mol, XLogP of 5.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-chlorophenoxy)-2,3-dichloropyridine is sourced from PubChem (CID 155316701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).