2-bromo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine

C13H6BrF6N — CID 57468624

IUPAC2-bromo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1ccc(-c2cc(C(F)(F)F)cc(Br)n2)cc1
InChIInChI=1S/C13H6BrF6N/c14-11-6-9(13(18,19)20)5-10(21-11)7-1-3-8(4-2-7)12(15,16)17/h1-6H
InChIKeySOHXIVAPQUJDKY-UHFFFAOYSA-N
MW370.09 g/mol
LogP5.55
Rot. Bonds1

About 2-bromo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine

2-bromo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine (PubChem CID 57468624) has the molecular formula C13H6BrF6N and a molecular weight of 370.09 g/mol. Its IUPAC name is 2-bromo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2-bromo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine
PubChem CID57468624
Molecular FormulaC13H6BrF6N
Molecular Weight370.09 g/mol
Exact Mass368.96
IUPAC Name2-bromo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1ccc(-c2cc(C(F)(F)F)cc(Br)n2)cc1
InChIInChI=1S/C13H6BrF6N/c14-11-6-9(13(18,19)20)5-10(21-11)7-1-3-8(4-2-7)12(15,16)17/h1-6H
InChIKeySOHXIVAPQUJDKY-UHFFFAOYSA-N
XLogP5.55
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.09
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[6-(4-hydroxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]phenol
CID 136862136
6-(4-fluorophenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716554
2-(2-iodo-4-pyridinyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine
CID 86615464
2-chloro-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 66521037
4-(difluoromethyl)-2-iodo-6-[4-(trifluoromethyl)phenyl]pyrimidine
CID 57468610
2,6-bis[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)pyridine
CID 134618302
6-bromo-4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]quinoline
CID 164676600
2,6-bis[4-(trifluoromethyl)phenyl]pyrazine
CID 44532794
2,4-dimethoxy-6-[4-(trifluoromethyl)phenyl]pyrimidine
CID 162537578
6-(4-methylphenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716522
2-(4-bromoimidazol-1-yl)-4-(difluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine
CID 57468731
4-(4-chlorophenyl)-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine
CID 154708171

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2-bromo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine (CID 57468624) is 2-bromo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2-bromo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2-bromo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine is FC(F)(F)c1ccc(-c2cc(C(F)(F)F)cc(Br)n2)cc1.
What is the InChIKey of 2-bromo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine?
The InChIKey is SOHXIVAPQUJDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrF6N/c14-11-6-9(13(18,19)20)5-10(21-11)7-1-3-8(4-2-7)12(15,16)17/h1-6H.
What are the key properties of 2-bromo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine?
2-bromo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine has a molecular weight of 370.09 g/mol, XLogP of 5.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 57468624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).