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

C12H7BrF3N — CID 22030268

IUPAC2-(4-bromophenyl)-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cccnc1-c1ccc(Br)cc1
InChIInChI=1S/C12H7BrF3N/c13-9-5-3-8(4-6-9)11-10(12(14,15)16)2-1-7-17-11/h1-7H
InChIKeyDOBQDGJCQMVTMR-UHFFFAOYSA-N
MW302.09 g/mol
LogP4.53
Rot. Bonds1

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

2-(4-bromophenyl)-3-(trifluoromethyl)pyridine (PubChem CID 22030268) has the molecular formula C12H7BrF3N and a molecular weight of 302.09 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-(trifluoromethyl)pyridine
PubChem CID22030268
Molecular FormulaC12H7BrF3N
Molecular Weight302.09 g/mol
Exact Mass300.97
IUPAC Name2-(4-bromophenyl)-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cccnc1-c1ccc(Br)cc1
InChIInChI=1S/C12H7BrF3N/c13-9-5-3-8(4-6-9)11-10(12(14,15)16)2-1-7-17-11/h1-7H
InChIKeyDOBQDGJCQMVTMR-UHFFFAOYSA-N
XLogP4.53
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.09
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-(4-bromophenyl)-3-(trifluoromethyl)pyridine (CID 22030268) is 2-(4-bromophenyl)-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(4-bromophenyl)-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(4-bromophenyl)-3-(trifluoromethyl)pyridine is FC(F)(F)c1cccnc1-c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-3-(trifluoromethyl)pyridine?
The InChIKey is DOBQDGJCQMVTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF3N/c13-9-5-3-8(4-6-9)11-10(12(14,15)16)2-1-7-17-11/h1-7H.
What are the key properties of 2-(4-bromophenyl)-3-(trifluoromethyl)pyridine?
2-(4-bromophenyl)-3-(trifluoromethyl)pyridine has a molecular weight of 302.09 g/mol, XLogP of 4.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 22030268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).