4-(4-methylphenyl)-2,6-bis(trifluoromethyl)pyridine

C14H9F6N — CID 102408426

IUPAC4-(4-methylphenyl)-2,6-bis(trifluoromethyl)pyridine
SMILESCc1ccc(-c2cc(C(F)(F)F)nc(C(F)(F)F)c2)cc1
InChIInChI=1S/C14H9F6N/c1-8-2-4-9(5-3-8)10-6-11(13(15,16)17)21-12(7-10)14(18,19)20/h2-7H,1H3
InChIKeyLXJWVECNERAFDL-UHFFFAOYSA-N
MW305.22 g/mol
LogP5.09
Rot. Bonds1

About 4-(4-methylphenyl)-2,6-bis(trifluoromethyl)pyridine

4-(4-methylphenyl)-2,6-bis(trifluoromethyl)pyridine (PubChem CID 102408426) has the molecular formula C14H9F6N and a molecular weight of 305.22 g/mol. Its IUPAC name is 4-(4-methylphenyl)-2,6-bis(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-(4-methylphenyl)-2,6-bis(trifluoromethyl)pyridine
PubChem CID102408426
Molecular FormulaC14H9F6N
Molecular Weight305.22 g/mol
Exact Mass305.06
IUPAC Name4-(4-methylphenyl)-2,6-bis(trifluoromethyl)pyridine
SMILESCc1ccc(-c2cc(C(F)(F)F)nc(C(F)(F)F)c2)cc1
InChIInChI=1S/C14H9F6N/c1-8-2-4-9(5-3-8)10-6-11(13(15,16)17)21-12(7-10)14(18,19)20/h2-7H,1H3
InChIKeyLXJWVECNERAFDL-UHFFFAOYSA-N
XLogP5.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.22
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4-[2,6-bis(trifluoromethyl)-4-pyridinyl]phenyl]-2,6-bis(trifluoromethyl)pyridine
CID 132551111
4-[2,6-bis(trifluoromethyl)-4-pyridinyl]-N,N-bis[4-[2,6-bis(trifluoromethyl)-4-pyridinyl]phenyl]aniline
CID 132551108
4-(4-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine
CID 100981573
1,3-difluoro-5-(4-methylphenyl)-2-(trifluoromethyl)benzene
CID 21026844
6-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 119008310
4-(3-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyridine
CID 155775338
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308
4,6-dimethyl-2-(trifluoromethyl)quinoline
CID 70809225
ethane;1,3,5-tris(4-methylphenyl)benzene
CID 91508266
3,6-bis(4-methylphenyl)-4,5-bis(trifluoromethyl)pyridazine
CID 15369982
2-fluoro-4-methyl-6-(trifluoromethyl)pyridine
CID 89320814
2-iodo-4-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine
CID 134620511

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-2,6-bis(trifluoromethyl)pyridine?
The IUPAC name of 4-(4-methylphenyl)-2,6-bis(trifluoromethyl)pyridine (CID 102408426) is 4-(4-methylphenyl)-2,6-bis(trifluoromethyl)pyridine.
What is the SMILES notation for 4-(4-methylphenyl)-2,6-bis(trifluoromethyl)pyridine?
The canonical SMILES for 4-(4-methylphenyl)-2,6-bis(trifluoromethyl)pyridine is Cc1ccc(-c2cc(C(F)(F)F)nc(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-2,6-bis(trifluoromethyl)pyridine?
The InChIKey is LXJWVECNERAFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6N/c1-8-2-4-9(5-3-8)10-6-11(13(15,16)17)21-12(7-10)14(18,19)20/h2-7H,1H3.
What are the key properties of 4-(4-methylphenyl)-2,6-bis(trifluoromethyl)pyridine?
4-(4-methylphenyl)-2,6-bis(trifluoromethyl)pyridine has a molecular weight of 305.22 g/mol, XLogP of 5.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-2,6-bis(trifluoromethyl)pyridine is sourced from PubChem (CID 102408426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).