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

C18H12BrF3N2 — CID 67393554

IUPAC2-(3-bromophenyl)-6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine
SMILESCc1cc(-c2ccc(C(F)(F)F)nc2)cc(-c2cccc(Br)c2)n1
InChIInChI=1S/C18H12BrF3N2/c1-11-7-14(13-5-6-17(23-10-13)18(20,21)22)9-16(24-11)12-3-2-4-15(19)8-12/h2-10H,1H3
InChIKeyWFFSVQPWVHTXBL-UHFFFAOYSA-N
MW393.21 g/mol
LogP5.90
Rot. Bonds2

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

2-(3-bromophenyl)-6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine (PubChem CID 67393554) has the molecular formula C18H12BrF3N2 and a molecular weight of 393.21 g/mol. Its IUPAC name is 2-(3-bromophenyl)-6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine.

Molecular Properties

Compound Name2-(3-bromophenyl)-6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine
PubChem CID67393554
Molecular FormulaC18H12BrF3N2
Molecular Weight393.21 g/mol
Exact Mass392.01
IUPAC Name2-(3-bromophenyl)-6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine
SMILESCc1cc(-c2ccc(C(F)(F)F)nc2)cc(-c2cccc(Br)c2)n1
InChIInChI=1S/C18H12BrF3N2/c1-11-7-14(13-5-6-17(23-10-13)18(20,21)22)9-16(24-11)12-3-2-4-15(19)8-12/h2-10H,1H3
InChIKeyWFFSVQPWVHTXBL-UHFFFAOYSA-N
XLogP5.90
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.21
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine?
The IUPAC name of 2-(3-bromophenyl)-6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine (CID 67393554) is 2-(3-bromophenyl)-6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine.
What is the SMILES notation for 2-(3-bromophenyl)-6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine?
The canonical SMILES for 2-(3-bromophenyl)-6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine is Cc1cc(-c2ccc(C(F)(F)F)nc2)cc(-c2cccc(Br)c2)n1.
What is the InChIKey of 2-(3-bromophenyl)-6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine?
The InChIKey is WFFSVQPWVHTXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrF3N2/c1-11-7-14(13-5-6-17(23-10-13)18(20,21)22)9-16(24-11)12-3-2-4-15(19)8-12/h2-10H,1H3.
What are the key properties of 2-(3-bromophenyl)-6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine?
2-(3-bromophenyl)-6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine has a molecular weight of 393.21 g/mol, XLogP of 5.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine is sourced from PubChem (CID 67393554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).