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

C18H13F3N2 — CID 168822169

IUPAC4-methyl-5-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]pyridine
SMILESCc1cc(-c2cccc(C(F)(F)F)c2)ncc1-c1ccccn1
InChIInChI=1S/C18H13F3N2/c1-12-9-17(13-5-4-6-14(10-13)18(19,20)21)23-11-15(12)16-7-2-3-8-22-16/h2-11H,1H3
InChIKeyBZQPGVCHEDQEJC-UHFFFAOYSA-N
MW314.31 g/mol
LogP5.14
Rot. Bonds2

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

4-methyl-5-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]pyridine (PubChem CID 168822169) has the molecular formula C18H13F3N2 and a molecular weight of 314.31 g/mol. Its IUPAC name is 4-methyl-5-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name4-methyl-5-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]pyridine
PubChem CID168822169
Molecular FormulaC18H13F3N2
Molecular Weight314.31 g/mol
Exact Mass314.10
IUPAC Name4-methyl-5-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]pyridine
SMILESCc1cc(-c2cccc(C(F)(F)F)c2)ncc1-c1ccccn1
InChIInChI=1S/C18H13F3N2/c1-12-9-17(13-5-4-6-14(10-13)18(19,20)21)23-11-15(12)16-7-2-3-8-22-16/h2-11H,1H3
InChIKeyBZQPGVCHEDQEJC-UHFFFAOYSA-N
XLogP5.14
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.31
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]pyridine
CID 168821693
2-(4-chlorophenyl)-4-methyl-5-pyridin-2-ylpyridine
CID 23550256
2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627753
bis(4-methyl-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);2-pyridin-2-ylpyridine
CID 140775460
2-(2-methyl-6-phenylphenyl)-4-(trifluoromethyl)pyridine
CID 138974124
4-methyl-2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidine
CID 14281179
2-(2,5-dimethyl-4-pyridin-2-ylphenyl)pyridine
CID 118652406
[2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine;dihydrochloride
CID 171365585
2-[2-[(E)-2-(2-methylphenyl)ethenyl]-4-(trifluoromethyl)phenyl]pyridine
CID 102107805
2-[2-[bis(2-pyridin-2-ylphenyl)methyl]phenyl]-4-methyl-5-phenylpyridine
CID 146333792
2-[2-methyl-3,5-bis(trifluoromethyl)phenyl]pyridine
CID 144740114
2-[2-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]pyridine
CID 58939585

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 4-methyl-5-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]pyridine (CID 168822169) is 4-methyl-5-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 4-methyl-5-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 4-methyl-5-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]pyridine is Cc1cc(-c2cccc(C(F)(F)F)c2)ncc1-c1ccccn1.
What is the InChIKey of 4-methyl-5-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]pyridine?
The InChIKey is BZQPGVCHEDQEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2/c1-12-9-17(13-5-4-6-14(10-13)18(19,20)21)23-11-15(12)16-7-2-3-8-22-16/h2-11H,1H3.
What are the key properties of 4-methyl-5-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]pyridine?
4-methyl-5-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]pyridine has a molecular weight of 314.31 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 168822169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).