3-bromo-5-(2,2-difluoroethoxy)-2-methylpyridine

C8H8BrF2NO — CID 163242204

IUPAC3-bromo-5-(2,2-difluoroethoxy)-2-methylpyridine
SMILESCc1ncc(OCC(F)F)cc1Br
InChIInChI=1S/C8H8BrF2NO/c1-5-7(9)2-6(3-12-5)13-4-8(10)11/h2-3,8H,4H2,1H3
InChIKeyQQZQCPJFWBAALS-UHFFFAOYSA-N
MW252.06 g/mol
LogP2.80
Rot. Bonds3

About 3-bromo-5-(2,2-difluoroethoxy)-2-methylpyridine

3-bromo-5-(2,2-difluoroethoxy)-2-methylpyridine (PubChem CID 163242204) has the molecular formula C8H8BrF2NO and a molecular weight of 252.06 g/mol. Its IUPAC name is 3-bromo-5-(2,2-difluoroethoxy)-2-methylpyridine.

Molecular Properties

Compound Name3-bromo-5-(2,2-difluoroethoxy)-2-methylpyridine
PubChem CID163242204
Molecular FormulaC8H8BrF2NO
Molecular Weight252.06 g/mol
Exact Mass250.98
IUPAC Name3-bromo-5-(2,2-difluoroethoxy)-2-methylpyridine
SMILESCc1ncc(OCC(F)F)cc1Br
InChIInChI=1S/C8H8BrF2NO/c1-5-7(9)2-6(3-12-5)13-4-8(10)11/h2-3,8H,4H2,1H3
InChIKeyQQZQCPJFWBAALS-UHFFFAOYSA-N
XLogP2.80
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.06
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2,2-difluoroethoxy)-2-methylpyridine?
The IUPAC name of 3-bromo-5-(2,2-difluoroethoxy)-2-methylpyridine (CID 163242204) is 3-bromo-5-(2,2-difluoroethoxy)-2-methylpyridine.
What is the SMILES notation for 3-bromo-5-(2,2-difluoroethoxy)-2-methylpyridine?
The canonical SMILES for 3-bromo-5-(2,2-difluoroethoxy)-2-methylpyridine is Cc1ncc(OCC(F)F)cc1Br.
What is the InChIKey of 3-bromo-5-(2,2-difluoroethoxy)-2-methylpyridine?
The InChIKey is QQZQCPJFWBAALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF2NO/c1-5-7(9)2-6(3-12-5)13-4-8(10)11/h2-3,8H,4H2,1H3.
What are the key properties of 3-bromo-5-(2,2-difluoroethoxy)-2-methylpyridine?
3-bromo-5-(2,2-difluoroethoxy)-2-methylpyridine has a molecular weight of 252.06 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2,2-difluoroethoxy)-2-methylpyridine is sourced from PubChem (CID 163242204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).