3-[(4-bromo-2-chlorophenyl)methoxy]-2-chloropyridine

C12H8BrCl2NO — CID 115634536

IUPAC3-[(4-bromo-2-chlorophenyl)methoxy]-2-chloropyridine
SMILESClc1cc(Br)ccc1COc1cccnc1Cl
InChIInChI=1S/C12H8BrCl2NO/c13-9-4-3-8(10(14)6-9)7-17-11-2-1-5-16-12(11)15/h1-6H,7H2
InChIKeyXQQZKYAKINQTSF-UHFFFAOYSA-N
MW333.01 g/mol
LogP4.73
Rot. Bonds3

About 3-[(4-bromo-2-chlorophenyl)methoxy]-2-chloropyridine

3-[(4-bromo-2-chlorophenyl)methoxy]-2-chloropyridine (PubChem CID 115634536) has the molecular formula C12H8BrCl2NO and a molecular weight of 333.01 g/mol. Its IUPAC name is 3-[(4-bromo-2-chlorophenyl)methoxy]-2-chloropyridine.

Molecular Properties

Compound Name3-[(4-bromo-2-chlorophenyl)methoxy]-2-chloropyridine
PubChem CID115634536
Molecular FormulaC12H8BrCl2NO
Molecular Weight333.01 g/mol
Exact Mass330.92
IUPAC Name3-[(4-bromo-2-chlorophenyl)methoxy]-2-chloropyridine
SMILESClc1cc(Br)ccc1COc1cccnc1Cl
InChIInChI=1S/C12H8BrCl2NO/c13-9-4-3-8(10(14)6-9)7-17-11-2-1-5-16-12(11)15/h1-6H,7H2
InChIKeyXQQZKYAKINQTSF-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

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-3-[(2-chloro-4-nitrophenyl)methoxy]pyridine
CID 65102083
1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-2,4-dichlorobenzene
CID 28981500
N-[2-[(4-bromo-2-chlorophenyl)methoxy]phenyl]acetamide
CID 48923418
[2-[(4-bromo-2-chlorophenyl)methoxy]-5-fluorophenyl]methanamine
CID 107694697
5-bromo-2-[(2-chlorophenoxy)methyl]aniline
CID 114380727
4-[(4-bromo-2-chlorophenoxy)methyl]-3-chlorobenzonitrile
CID 102665843
(1R)-1-[4-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]phenyl]ethanol
CID 102948801
(1S)-1-[5-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]phenyl]ethanol
CID 104862353
3-[(4-bromo-2-fluorophenyl)methoxy]pyridin-2-amine
CID 43438660
2-chloro-3-[(3,5-difluorophenyl)methoxy]pyridine
CID 105403621
[5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
CID 60879629
5-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]-4-fluoroaniline
CID 103482999

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-2-chlorophenyl)methoxy]-2-chloropyridine?
The IUPAC name of 3-[(4-bromo-2-chlorophenyl)methoxy]-2-chloropyridine (CID 115634536) is 3-[(4-bromo-2-chlorophenyl)methoxy]-2-chloropyridine.
What is the SMILES notation for 3-[(4-bromo-2-chlorophenyl)methoxy]-2-chloropyridine?
The canonical SMILES for 3-[(4-bromo-2-chlorophenyl)methoxy]-2-chloropyridine is Clc1cc(Br)ccc1COc1cccnc1Cl.
What is the InChIKey of 3-[(4-bromo-2-chlorophenyl)methoxy]-2-chloropyridine?
The InChIKey is XQQZKYAKINQTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrCl2NO/c13-9-4-3-8(10(14)6-9)7-17-11-2-1-5-16-12(11)15/h1-6H,7H2.
What are the key properties of 3-[(4-bromo-2-chlorophenyl)methoxy]-2-chloropyridine?
3-[(4-bromo-2-chlorophenyl)methoxy]-2-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 3-[(4-bromo-2-chlorophenyl)methoxy]-2-chloropyridine is sourced from PubChem (CID 115634536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).