3-[3-bromo-5-(trifluoromethyl)phenyl]pyridine

C12H7BrF3N — CID 174924855

IUPAC3-[3-bromo-5-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1cc(Br)cc(-c2cccnc2)c1
InChIInChI=1S/C12H7BrF3N/c13-11-5-9(8-2-1-3-17-7-8)4-10(6-11)12(14,15)16/h1-7H
InChIKeyWZYCCFISKZOMNY-UHFFFAOYSA-N
MW302.09 g/mol
LogP4.53
Rot. Bonds1

About 3-[3-bromo-5-(trifluoromethyl)phenyl]pyridine

3-[3-bromo-5-(trifluoromethyl)phenyl]pyridine (PubChem CID 174924855) has the molecular formula C12H7BrF3N and a molecular weight of 302.09 g/mol. Its IUPAC name is 3-[3-bromo-5-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name3-[3-bromo-5-(trifluoromethyl)phenyl]pyridine
PubChem CID174924855
Molecular FormulaC12H7BrF3N
Molecular Weight302.09 g/mol
Exact Mass300.97
IUPAC Name3-[3-bromo-5-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1cc(Br)cc(-c2cccnc2)c1
InChIInChI=1S/C12H7BrF3N/c13-11-5-9(8-2-1-3-17-7-8)4-10(6-11)12(14,15)16/h1-7H
InChIKeyWZYCCFISKZOMNY-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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Related Compounds

3-[3-pyridin-3-yl-5-(trifluoromethyl)phenyl]pyridine
CID 46316443
3-[3,5-bis(trifluoromethyl)phenyl]pyridine
CID 46315288
3-[3-ethyl-5-(trifluoromethyl)phenyl]pyridine
CID 134532799
1-bromo-3-(3-methylphenyl)-5-(trifluoromethyl)benzene
CID 54289546
3-(3-bromo-5-nitrophenyl)pyridine
CID 119089037
3-[3-[6-[3,5-bis(trifluoromethyl)phenyl]dibenzothiophen-4-yl]-5-pyridin-3-ylphenyl]pyridine
CID 175610894
2-(3-bromo-5-pyridin-3-ylphenyl)-4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155195987
3-(4-bromo-3,5-difluorophenyl)pyridine
CID 164533968
ethyl 3-pyridin-3-yl-5-(trifluoromethyl)benzoate
CID 46317775
2-pyridin-3-yl-5-(trifluoromethyl)phenol
CID 46317345
2-(3-bromo-5-pyridin-4-ylphenyl)-4-pyridin-4-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155708562
2-(3-bromo-5-pyridin-3-ylphenyl)-4-pyridin-4-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155708589

Frequently Asked Questions

What is the IUPAC name of 3-[3-bromo-5-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 3-[3-bromo-5-(trifluoromethyl)phenyl]pyridine (CID 174924855) is 3-[3-bromo-5-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 3-[3-bromo-5-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 3-[3-bromo-5-(trifluoromethyl)phenyl]pyridine is FC(F)(F)c1cc(Br)cc(-c2cccnc2)c1.
What is the InChIKey of 3-[3-bromo-5-(trifluoromethyl)phenyl]pyridine?
The InChIKey is WZYCCFISKZOMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF3N/c13-11-5-9(8-2-1-3-17-7-8)4-10(6-11)12(14,15)16/h1-7H.
What are the key properties of 3-[3-bromo-5-(trifluoromethyl)phenyl]pyridine?
3-[3-bromo-5-(trifluoromethyl)phenyl]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 3-[3-bromo-5-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 174924855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).