3-(2-bromoethoxy)-4-(trifluoromethyl)pyridine

C8H7BrF3NO — CID 121418428

IUPAC3-(2-bromoethoxy)-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccncc1OCCBr
InChIInChI=1S/C8H7BrF3NO/c9-2-4-14-7-5-13-3-1-6(7)8(10,11)12/h1,3,5H,2,4H2
InChIKeyZXCPCSASHKZWJT-UHFFFAOYSA-N
MW270.05 g/mol
LogP2.87
Rot. Bonds3

About 3-(2-bromoethoxy)-4-(trifluoromethyl)pyridine

3-(2-bromoethoxy)-4-(trifluoromethyl)pyridine (PubChem CID 121418428) has the molecular formula C8H7BrF3NO and a molecular weight of 270.05 g/mol. Its IUPAC name is 3-(2-bromoethoxy)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-(2-bromoethoxy)-4-(trifluoromethyl)pyridine
PubChem CID121418428
Molecular FormulaC8H7BrF3NO
Molecular Weight270.05 g/mol
Exact Mass268.97
IUPAC Name3-(2-bromoethoxy)-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccncc1OCCBr
InChIInChI=1S/C8H7BrF3NO/c9-2-4-14-7-5-13-3-1-6(7)8(10,11)12/h1,3,5H,2,4H2
InChIKeyZXCPCSASHKZWJT-UHFFFAOYSA-N
XLogP2.87
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.05
LogP ≤ 52.87
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

2-(2-bromoethoxy)-4-chloro-1-(trifluoromethyl)benzene
CID 134573994
[4-(trifluoromethyl)-3-pyridinyl] trifluoromethanesulfonate
CID 139986270
4-(trifluoromethyl)pyridin-3-ol
CID 25210497
4-(bromomethyl)-3-(trifluoromethyl)pyridine
CID 118704049
4-(2-bromoethoxy)-3-(trifluoromethyl)benzonitrile
CID 115467673
3-(3-bromoprop-1-enyl)-4-(trifluoromethyl)pyridine
CID 169475829
3-(3-chloropropyl)-4-(trifluoromethyl)pyridine
CID 102708951
4-(piperidin-4-ylmethoxy)-3-(trifluoromethyl)pyridine
CID 166105232
(5S)-N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 144745325
[3-(4,4,4-trifluorobutoxy)-4-pyridinyl]methanol
CID 105067211
4-(2-bromoethoxy)-2-(trifluoromethyl)aniline
CID 168997372
3-[[4-(bromomethyl)-2-(trifluoromethyl)phenoxy]methyl]pyridine
CID 63320237

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoethoxy)-4-(trifluoromethyl)pyridine?
The IUPAC name of 3-(2-bromoethoxy)-4-(trifluoromethyl)pyridine (CID 121418428) is 3-(2-bromoethoxy)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-(2-bromoethoxy)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 3-(2-bromoethoxy)-4-(trifluoromethyl)pyridine is FC(F)(F)c1ccncc1OCCBr.
What is the InChIKey of 3-(2-bromoethoxy)-4-(trifluoromethyl)pyridine?
The InChIKey is ZXCPCSASHKZWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3NO/c9-2-4-14-7-5-13-3-1-6(7)8(10,11)12/h1,3,5H,2,4H2.
What are the key properties of 3-(2-bromoethoxy)-4-(trifluoromethyl)pyridine?
3-(2-bromoethoxy)-4-(trifluoromethyl)pyridine has a molecular weight of 270.05 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoethoxy)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 121418428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).