3-bromo-2-(2,2,2-trifluoro-1-methoxyethyl)pyridine

C8H7BrF3NO — CID 142546793

IUPAC3-bromo-2-(2,2,2-trifluoro-1-methoxyethyl)pyridine
SMILESCOC(c1ncccc1Br)C(F)(F)F
InChIInChI=1S/C8H7BrF3NO/c1-14-7(8(10,11)12)6-5(9)3-2-4-13-6/h2-4,7H,1H3
InChIKeyQEAJKVWMYZEBTF-UHFFFAOYSA-N
MW270.05 g/mol
LogP3.09
Rot. Bonds2

About 3-bromo-2-(2,2,2-trifluoro-1-methoxyethyl)pyridine

3-bromo-2-(2,2,2-trifluoro-1-methoxyethyl)pyridine (PubChem CID 142546793) has the molecular formula C8H7BrF3NO and a molecular weight of 270.05 g/mol. Its IUPAC name is 3-bromo-2-(2,2,2-trifluoro-1-methoxyethyl)pyridine.

Molecular Properties

Compound Name3-bromo-2-(2,2,2-trifluoro-1-methoxyethyl)pyridine
PubChem CID142546793
Molecular FormulaC8H7BrF3NO
Molecular Weight270.05 g/mol
Exact Mass268.97
IUPAC Name3-bromo-2-(2,2,2-trifluoro-1-methoxyethyl)pyridine
SMILESCOC(c1ncccc1Br)C(F)(F)F
InChIInChI=1S/C8H7BrF3NO/c1-14-7(8(10,11)12)6-5(9)3-2-4-13-6/h2-4,7H,1H3
InChIKeyQEAJKVWMYZEBTF-UHFFFAOYSA-N
XLogP3.09
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.05
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(2,2,2-trifluoro-1-methoxyethyl)pyridine?
The IUPAC name of 3-bromo-2-(2,2,2-trifluoro-1-methoxyethyl)pyridine (CID 142546793) is 3-bromo-2-(2,2,2-trifluoro-1-methoxyethyl)pyridine.
What is the SMILES notation for 3-bromo-2-(2,2,2-trifluoro-1-methoxyethyl)pyridine?
The canonical SMILES for 3-bromo-2-(2,2,2-trifluoro-1-methoxyethyl)pyridine is COC(c1ncccc1Br)C(F)(F)F.
What is the InChIKey of 3-bromo-2-(2,2,2-trifluoro-1-methoxyethyl)pyridine?
The InChIKey is QEAJKVWMYZEBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3NO/c1-14-7(8(10,11)12)6-5(9)3-2-4-13-6/h2-4,7H,1H3.
What are the key properties of 3-bromo-2-(2,2,2-trifluoro-1-methoxyethyl)pyridine?
3-bromo-2-(2,2,2-trifluoro-1-methoxyethyl)pyridine has a molecular weight of 270.05 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(2,2,2-trifluoro-1-methoxyethyl)pyridine is sourced from PubChem (CID 142546793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).