5-bromo-3-(chloromethyl)-2-(2,2-difluoroethoxy)pyridine

C8H7BrClF2NO — CID 82006550

IUPAC5-bromo-3-(chloromethyl)-2-(2,2-difluoroethoxy)pyridine
SMILESFC(F)COc1ncc(Br)cc1CCl
InChIInChI=1S/C8H7BrClF2NO/c9-6-1-5(2-10)8(13-3-6)14-4-7(11)12/h1,3,7H,2,4H2
InChIKeyOBTIKHACQWKFHZ-UHFFFAOYSA-N
MW286.50 g/mol
LogP3.23
Rot. Bonds4

About 5-bromo-3-(chloromethyl)-2-(2,2-difluoroethoxy)pyridine

5-bromo-3-(chloromethyl)-2-(2,2-difluoroethoxy)pyridine (PubChem CID 82006550) has the molecular formula C8H7BrClF2NO and a molecular weight of 286.50 g/mol. Its IUPAC name is 5-bromo-3-(chloromethyl)-2-(2,2-difluoroethoxy)pyridine.

Molecular Properties

Compound Name5-bromo-3-(chloromethyl)-2-(2,2-difluoroethoxy)pyridine
PubChem CID82006550
Molecular FormulaC8H7BrClF2NO
Molecular Weight286.50 g/mol
Exact Mass284.94
IUPAC Name5-bromo-3-(chloromethyl)-2-(2,2-difluoroethoxy)pyridine
SMILESFC(F)COc1ncc(Br)cc1CCl
InChIInChI=1S/C8H7BrClF2NO/c9-6-1-5(2-10)8(13-3-6)14-4-7(11)12/h1,3,7H,2,4H2
InChIKeyOBTIKHACQWKFHZ-UHFFFAOYSA-N
XLogP3.23
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.50
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[[5-bromo-2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 82005379
1-[[5-bromo-3-(chloromethyl)-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine
CID 79679858
5-bromo-2-(4-bromo-3,5-dimethylphenoxy)-3-(chloromethyl)pyridine
CID 107725632
5-bromo-3-(chloromethyl)-2-(4-iodophenoxy)pyridine
CID 63446894
5-bromo-2-chloro-3-(chloromethyl)pyridine
CID 42544310
5-bromo-3-(chloromethyl)-2-(2-pyridin-2-ylethoxy)pyridine
CID 62001343
5-bromo-2-(4-chloro-3-fluorophenoxy)-3-(chloromethyl)pyridine
CID 82716130
5-bromo-3-(chloromethyl)-2-(oxan-4-yloxy)pyridine
CID 62001160
5-bromo-2-(4-chloro-2,6-dimethylphenoxy)-3-(chloromethyl)pyridine
CID 63446614
5-bromo-3-(chloromethyl)-2-(2,4-dimethylphenoxy)pyridine
CID 63446322
1-[5-bromo-2-(2-methylpropoxy)-3-pyridinyl]-N-methylmethanamine
CID 62290504
5-bromo-3-(chloromethyl)-2-(3-ethoxyphenoxy)pyridine
CID 55060803

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(chloromethyl)-2-(2,2-difluoroethoxy)pyridine?
The IUPAC name of 5-bromo-3-(chloromethyl)-2-(2,2-difluoroethoxy)pyridine (CID 82006550) is 5-bromo-3-(chloromethyl)-2-(2,2-difluoroethoxy)pyridine.
What is the SMILES notation for 5-bromo-3-(chloromethyl)-2-(2,2-difluoroethoxy)pyridine?
The canonical SMILES for 5-bromo-3-(chloromethyl)-2-(2,2-difluoroethoxy)pyridine is FC(F)COc1ncc(Br)cc1CCl.
What is the InChIKey of 5-bromo-3-(chloromethyl)-2-(2,2-difluoroethoxy)pyridine?
The InChIKey is OBTIKHACQWKFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClF2NO/c9-6-1-5(2-10)8(13-3-6)14-4-7(11)12/h1,3,7H,2,4H2.
What are the key properties of 5-bromo-3-(chloromethyl)-2-(2,2-difluoroethoxy)pyridine?
5-bromo-3-(chloromethyl)-2-(2,2-difluoroethoxy)pyridine has a molecular weight of 286.50 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(chloromethyl)-2-(2,2-difluoroethoxy)pyridine is sourced from PubChem (CID 82006550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).