2-(3-bromophenyl)-6-methyl-4-[4-(trifluoromethyl)phenyl]pyridine

C19H13BrF3N — CID 57468745

IUPAC2-(3-bromophenyl)-6-methyl-4-[4-(trifluoromethyl)phenyl]pyridine
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cccc(Br)c2)n1
InChIInChI=1S/C19H13BrF3N/c1-12-9-15(13-5-7-16(8-6-13)19(21,22)23)11-18(24-12)14-3-2-4-17(20)10-14/h2-11H,1H3
InChIKeyHVEVMJUOPBGKOS-UHFFFAOYSA-N
MW392.22 g/mol
LogP6.51
Rot. Bonds2

About 2-(3-bromophenyl)-6-methyl-4-[4-(trifluoromethyl)phenyl]pyridine

2-(3-bromophenyl)-6-methyl-4-[4-(trifluoromethyl)phenyl]pyridine (PubChem CID 57468745) has the molecular formula C19H13BrF3N and a molecular weight of 392.22 g/mol. Its IUPAC name is 2-(3-bromophenyl)-6-methyl-4-[4-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2-(3-bromophenyl)-6-methyl-4-[4-(trifluoromethyl)phenyl]pyridine
PubChem CID57468745
Molecular FormulaC19H13BrF3N
Molecular Weight392.22 g/mol
Exact Mass391.02
IUPAC Name2-(3-bromophenyl)-6-methyl-4-[4-(trifluoromethyl)phenyl]pyridine
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cccc(Br)c2)n1
InChIInChI=1S/C19H13BrF3N/c1-12-9-15(13-5-7-16(8-6-13)19(21,22)23)11-18(24-12)14-3-2-4-17(20)10-14/h2-11H,1H3
InChIKeyHVEVMJUOPBGKOS-UHFFFAOYSA-N
XLogP6.51
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.22
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-6-methyl-4-[4-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2-(3-bromophenyl)-6-methyl-4-[4-(trifluoromethyl)phenyl]pyridine (CID 57468745) is 2-(3-bromophenyl)-6-methyl-4-[4-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2-(3-bromophenyl)-6-methyl-4-[4-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2-(3-bromophenyl)-6-methyl-4-[4-(trifluoromethyl)phenyl]pyridine is Cc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cccc(Br)c2)n1.
What is the InChIKey of 2-(3-bromophenyl)-6-methyl-4-[4-(trifluoromethyl)phenyl]pyridine?
The InChIKey is HVEVMJUOPBGKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrF3N/c1-12-9-15(13-5-7-16(8-6-13)19(21,22)23)11-18(24-12)14-3-2-4-17(20)10-14/h2-11H,1H3.
What are the key properties of 2-(3-bromophenyl)-6-methyl-4-[4-(trifluoromethyl)phenyl]pyridine?
2-(3-bromophenyl)-6-methyl-4-[4-(trifluoromethyl)phenyl]pyridine has a molecular weight of 392.22 g/mol, XLogP of 6.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-6-methyl-4-[4-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 57468745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).