2-[(4-bromophenoxy)methyl]-6-chloropyridine

C12H9BrClNO — CID 79240676

IUPAC2-[(4-bromophenoxy)methyl]-6-chloropyridine
SMILESClc1cccc(COc2ccc(Br)cc2)n1
InChIInChI=1S/C12H9BrClNO/c13-9-4-6-11(7-5-9)16-8-10-2-1-3-12(14)15-10/h1-7H,8H2
InChIKeyQKXLLDJRBWYGIV-UHFFFAOYSA-N
MW298.57 g/mol
LogP4.08
Rot. Bonds3

About 2-[(4-bromophenoxy)methyl]-6-chloropyridine

2-[(4-bromophenoxy)methyl]-6-chloropyridine (PubChem CID 79240676) has the molecular formula C12H9BrClNO and a molecular weight of 298.57 g/mol. Its IUPAC name is 2-[(4-bromophenoxy)methyl]-6-chloropyridine.

Molecular Properties

Compound Name2-[(4-bromophenoxy)methyl]-6-chloropyridine
PubChem CID79240676
Molecular FormulaC12H9BrClNO
Molecular Weight298.57 g/mol
Exact Mass296.96
IUPAC Name2-[(4-bromophenoxy)methyl]-6-chloropyridine
SMILESClc1cccc(COc2ccc(Br)cc2)n1
InChIInChI=1S/C12H9BrClNO/c13-9-4-6-11(7-5-9)16-8-10-2-1-3-12(14)15-10/h1-7H,8H2
InChIKeyQKXLLDJRBWYGIV-UHFFFAOYSA-N
XLogP4.08
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.57
LogP ≤ 54.08
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

2,6-Dibromo-3-[2-(2,4-dichlorophenoxy)ethoxy]pyridine
CID 44620892
2-[3-(4-Chlorophenoxy)prop-1-yn-1-yl]-6-methylpyridine
CID 11345906
2-(3-(3-Chlorophenoxy)but-1-ynyl)-6-methylpyridine
CID 11737347
2-(3-(3-Chlorophenoxy)prop-1-ynyl)-6-methylpyridine
CID 44415963
2-Bromo-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methylpyridine
CID 44620895
2-(4-Bromophenoxy)-5-chloropyridine
CID 24696485
2-[(4-Chlorophenoxy)methyl]pyridine;hydrochloride
CID 13058725
3-Bromo-6-chloro-2-(4-methoxyphenoxy)pyridine
CID 70686996
2-[(4-Chlorophenoxy)methyl]pyridine
CID 5118923
2-(4-Bromophenoxy)-6-(2,2-dimethylpropoxymethyl)-3-fluoropyridine
CID 13849259
2-(4-Bromophenoxy)-6-[(2-chloro-2-methylpropoxy)methyl]-3-fluoropyridine
CID 20202416
2-(4-Bromo-2-fluorophenoxy)-3-fluoro-6-(2,2,2-trichloroethoxymethyl)pyridine
CID 20202423

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenoxy)methyl]-6-chloropyridine?
The IUPAC name of 2-[(4-bromophenoxy)methyl]-6-chloropyridine (CID 79240676) is 2-[(4-bromophenoxy)methyl]-6-chloropyridine.
What is the SMILES notation for 2-[(4-bromophenoxy)methyl]-6-chloropyridine?
The canonical SMILES for 2-[(4-bromophenoxy)methyl]-6-chloropyridine is Clc1cccc(COc2ccc(Br)cc2)n1.
What is the InChIKey of 2-[(4-bromophenoxy)methyl]-6-chloropyridine?
The InChIKey is QKXLLDJRBWYGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClNO/c13-9-4-6-11(7-5-9)16-8-10-2-1-3-12(14)15-10/h1-7H,8H2.
What are the key properties of 2-[(4-bromophenoxy)methyl]-6-chloropyridine?
2-[(4-bromophenoxy)methyl]-6-chloropyridine has a molecular weight of 298.57 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenoxy)methyl]-6-chloropyridine is sourced from PubChem (CID 79240676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).