2-(2-methylphenyl)-4-[2-(trifluoromethyl)phenyl]pyridine

C19H14F3N — CID 126582882

IUPAC2-(2-methylphenyl)-4-[2-(trifluoromethyl)phenyl]pyridine
SMILESCc1ccccc1-c1cc(-c2ccccc2C(F)(F)F)ccn1
InChIInChI=1S/C19H14F3N/c1-13-6-2-3-7-15(13)18-12-14(10-11-23-18)16-8-4-5-9-17(16)19(20,21)22/h2-12H,1H3
InChIKeyOFYDAPZECVKVRL-UHFFFAOYSA-N
MW313.32 g/mol
LogP5.74
Rot. Bonds2

About 2-(2-methylphenyl)-4-[2-(trifluoromethyl)phenyl]pyridine

2-(2-methylphenyl)-4-[2-(trifluoromethyl)phenyl]pyridine (PubChem CID 126582882) has the molecular formula C19H14F3N and a molecular weight of 313.32 g/mol. Its IUPAC name is 2-(2-methylphenyl)-4-[2-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2-(2-methylphenyl)-4-[2-(trifluoromethyl)phenyl]pyridine
PubChem CID126582882
Molecular FormulaC19H14F3N
Molecular Weight313.32 g/mol
Exact Mass313.11
IUPAC Name2-(2-methylphenyl)-4-[2-(trifluoromethyl)phenyl]pyridine
SMILESCc1ccccc1-c1cc(-c2ccccc2C(F)(F)F)ccn1
InChIInChI=1S/C19H14F3N/c1-13-6-2-3-7-15(13)18-12-14(10-11-23-18)16-8-4-5-9-17(16)19(20,21)22/h2-12H,1H3
InChIKeyOFYDAPZECVKVRL-UHFFFAOYSA-N
XLogP5.74
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.32
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-4-[2-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2-(2-methylphenyl)-4-[2-(trifluoromethyl)phenyl]pyridine (CID 126582882) is 2-(2-methylphenyl)-4-[2-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2-(2-methylphenyl)-4-[2-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2-(2-methylphenyl)-4-[2-(trifluoromethyl)phenyl]pyridine is Cc1ccccc1-c1cc(-c2ccccc2C(F)(F)F)ccn1.
What is the InChIKey of 2-(2-methylphenyl)-4-[2-(trifluoromethyl)phenyl]pyridine?
The InChIKey is OFYDAPZECVKVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N/c1-13-6-2-3-7-15(13)18-12-14(10-11-23-18)16-8-4-5-9-17(16)19(20,21)22/h2-12H,1H3.
What are the key properties of 2-(2-methylphenyl)-4-[2-(trifluoromethyl)phenyl]pyridine?
2-(2-methylphenyl)-4-[2-(trifluoromethyl)phenyl]pyridine has a molecular weight of 313.32 g/mol, XLogP of 5.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-4-[2-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 126582882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).