2-bromo-5-chloro-3-(difluoromethoxy)-6-methoxypyridine

C7H5BrClF2NO2 — CID 167456312

IUPAC2-bromo-5-chloro-3-(difluoromethoxy)-6-methoxypyridine
SMILESCOc1nc(Br)c(OC(F)F)cc1Cl
InChIInChI=1S/C7H5BrClF2NO2/c1-13-6-3(9)2-4(5(8)12-6)14-7(10)11/h2,7H,1H3
InChIKeyWXYOXCXESOGBTD-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.11
Rot. Bonds3

About 2-bromo-5-chloro-3-(difluoromethoxy)-6-methoxypyridine

2-bromo-5-chloro-3-(difluoromethoxy)-6-methoxypyridine (PubChem CID 167456312) has the molecular formula C7H5BrClF2NO2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 2-bromo-5-chloro-3-(difluoromethoxy)-6-methoxypyridine.

Molecular Properties

Compound Name2-bromo-5-chloro-3-(difluoromethoxy)-6-methoxypyridine
PubChem CID167456312
Molecular FormulaC7H5BrClF2NO2
Molecular Weight288.48 g/mol
Exact Mass286.92
IUPAC Name2-bromo-5-chloro-3-(difluoromethoxy)-6-methoxypyridine
SMILESCOc1nc(Br)c(OC(F)F)cc1Cl
InChIInChI=1S/C7H5BrClF2NO2/c1-13-6-3(9)2-4(5(8)12-6)14-7(10)11/h2,7H,1H3
InChIKeyWXYOXCXESOGBTD-UHFFFAOYSA-N
XLogP3.11
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 16748108
CID 16748108
CID 86043586
CID 86043586
CID 137377826
CID 137377826
CID 49871694
CID 49871694
CID 49871813
CID 49871813
CID 121230181
CID 121230181
CID 46311561
CID 46311561
CID 49871812
CID 49871812
CID 162401517
CID 162401517
CID 14740078
CID 14740078
CID 14740056
CID 14740056
CID 86675402
CID 86675402

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-3-(difluoromethoxy)-6-methoxypyridine?
The IUPAC name of 2-bromo-5-chloro-3-(difluoromethoxy)-6-methoxypyridine (CID 167456312) is 2-bromo-5-chloro-3-(difluoromethoxy)-6-methoxypyridine.
What is the SMILES notation for 2-bromo-5-chloro-3-(difluoromethoxy)-6-methoxypyridine?
The canonical SMILES for 2-bromo-5-chloro-3-(difluoromethoxy)-6-methoxypyridine is COc1nc(Br)c(OC(F)F)cc1Cl.
What is the InChIKey of 2-bromo-5-chloro-3-(difluoromethoxy)-6-methoxypyridine?
The InChIKey is WXYOXCXESOGBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClF2NO2/c1-13-6-3(9)2-4(5(8)12-6)14-7(10)11/h2,7H,1H3.
What are the key properties of 2-bromo-5-chloro-3-(difluoromethoxy)-6-methoxypyridine?
2-bromo-5-chloro-3-(difluoromethoxy)-6-methoxypyridine has a molecular weight of 288.48 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-3-(difluoromethoxy)-6-methoxypyridine is sourced from PubChem (CID 167456312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).