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

C19H14F3N — CID 168821693

IUPAC5-methyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]pyridine
SMILESCc1cnc(-c2cccc(C(F)(F)F)c2)cc1-c1ccccc1
InChIInChI=1S/C19H14F3N/c1-13-12-23-18(11-17(13)14-6-3-2-4-7-14)15-8-5-9-16(10-15)19(20,21)22/h2-12H,1H3
InChIKeyITOJMVSGWCPQJW-UHFFFAOYSA-N
MW313.32 g/mol
LogP5.74
Rot. Bonds2

About 5-methyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]pyridine

5-methyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]pyridine (PubChem CID 168821693) has the molecular formula C19H14F3N and a molecular weight of 313.32 g/mol. Its IUPAC name is 5-methyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name5-methyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]pyridine
PubChem CID168821693
Molecular FormulaC19H14F3N
Molecular Weight313.32 g/mol
Exact Mass313.11
IUPAC Name5-methyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]pyridine
SMILESCc1cnc(-c2cccc(C(F)(F)F)c2)cc1-c1ccccc1
InChIInChI=1S/C19H14F3N/c1-13-12-23-18(11-17(13)14-6-3-2-4-7-14)15-8-5-9-16(10-15)19(20,21)22/h2-12H,1H3
InChIKeyITOJMVSGWCPQJW-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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Related Compounds

5-methyl-4-phenyl-2-(3-phenylphenyl)pyridine
CID 140676048
4-methyl-5-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]pyridine
CID 168822169
5-methyl-2-[6-(5-methyl-4-phenyl-2-pyridinyl)-2-pyridinyl]-4-phenylpyridine
CID 10993350
4,5-dimethyl-2-[4-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]pyridine
CID 170284626
5-[3-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 20567072
2-(3-tert-butylphenyl)-5-(trifluoromethyl)pyridine
CID 58432818
2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627753
2-(2-methyl-6-phenylphenyl)-4-(trifluoromethyl)pyridine
CID 138974124
5-fluoro-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
CID 133089636
5-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidine
CID 162568225
2,5-dimethyl-4-phenylpyridine
CID 603086
4-(4-tert-butylphenyl)-5-methyl-2-(3-phenanthren-9-ylphenyl)pyridine
CID 172506461

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 5-methyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]pyridine (CID 168821693) is 5-methyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 5-methyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 5-methyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]pyridine is Cc1cnc(-c2cccc(C(F)(F)F)c2)cc1-c1ccccc1.
What is the InChIKey of 5-methyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]pyridine?
The InChIKey is ITOJMVSGWCPQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N/c1-13-12-23-18(11-17(13)14-6-3-2-4-7-14)15-8-5-9-16(10-15)19(20,21)22/h2-12H,1H3.
What are the key properties of 5-methyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]pyridine?
5-methyl-4-phenyl-2-[3-(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 5-methyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 168821693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).