4-[3-[2,6-bis(trifluoromethyl)-4-pyridinyl]-5-methylphenyl]-2,6-bis(trifluoromethyl)pyridine

C21H10F12N2 — CID 132551113

IUPAC4-[3-[2,6-bis(trifluoromethyl)-4-pyridinyl]-5-methylphenyl]-2,6-bis(trifluoromethyl)pyridine
SMILESCc1cc(-c2cc(C(F)(F)F)nc(C(F)(F)F)c2)cc(-c2cc(C(F)(F)F)nc(C(F)(F)F)c2)c1
InChIInChI=1S/C21H10F12N2/c1-9-2-10(12-5-14(18(22,23)24)34-15(6-12)19(25,26)27)4-11(3-9)13-7-16(20(28,29)30)35-17(8-13)21(31,32)33/h2-8H,1H3
InChIKeyCYWWRNGKFSAWHD-UHFFFAOYSA-N
MW518.30 g/mol
LogP8.19
Rot. Bonds2

About 4-[3-[2,6-bis(trifluoromethyl)-4-pyridinyl]-5-methylphenyl]-2,6-bis(trifluoromethyl)pyridine

4-[3-[2,6-bis(trifluoromethyl)-4-pyridinyl]-5-methylphenyl]-2,6-bis(trifluoromethyl)pyridine (PubChem CID 132551113) has the molecular formula C21H10F12N2 and a molecular weight of 518.30 g/mol. Its IUPAC name is 4-[3-[2,6-bis(trifluoromethyl)-4-pyridinyl]-5-methylphenyl]-2,6-bis(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-[3-[2,6-bis(trifluoromethyl)-4-pyridinyl]-5-methylphenyl]-2,6-bis(trifluoromethyl)pyridine
PubChem CID132551113
Molecular FormulaC21H10F12N2
Molecular Weight518.30 g/mol
Exact Mass518.07
IUPAC Name4-[3-[2,6-bis(trifluoromethyl)-4-pyridinyl]-5-methylphenyl]-2,6-bis(trifluoromethyl)pyridine
SMILESCc1cc(-c2cc(C(F)(F)F)nc(C(F)(F)F)c2)cc(-c2cc(C(F)(F)F)nc(C(F)(F)F)c2)c1
InChIInChI=1S/C21H10F12N2/c1-9-2-10(12-5-14(18(22,23)24)34-15(6-12)19(25,26)27)4-11(3-9)13-7-16(20(28,29)30)35-17(8-13)21(31,32)33/h2-8H,1H3
InChIKeyCYWWRNGKFSAWHD-UHFFFAOYSA-N
XLogP8.19
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.30
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-Diphenylpyridine
CID 72920
3,4-Dimethyl-2,6-diphenylpyridine
CID 3110002
ML318
CID 56604881
2-Methyl-4,6-diphenylpyridine
CID 618669
2-(4-(Trifluoromethyl)phenyl)-2-(6-(trifluoromethyl) pyridin-2-yl)acetonitrile (29)
CID 56604846
(2s)-(4-Fluorophenyl)[6-(Trifluoromethyl)pyridin-2-Yl]ethanenitrile
CID 74627698
6-(3-(Trifluoromethyl)phenyl)picolinonitrile
CID 49863205
2,6-Diphenethylpyridine
CID 12429371
2,6-Bis(p-tolyl)pyridine
CID 84435
2-Methyl-6-phenylpyridine
CID 2762885
2-Tert-butyl-4,6-diphenyl-pyridine
CID 3299044
2-{[4-(2-Fluorobenzyl)-1-piperidinyl]methyl}-6-methylpyridine
CID 29152007

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2,6-bis(trifluoromethyl)-4-pyridinyl]-5-methylphenyl]-2,6-bis(trifluoromethyl)pyridine?
The IUPAC name of 4-[3-[2,6-bis(trifluoromethyl)-4-pyridinyl]-5-methylphenyl]-2,6-bis(trifluoromethyl)pyridine (CID 132551113) is 4-[3-[2,6-bis(trifluoromethyl)-4-pyridinyl]-5-methylphenyl]-2,6-bis(trifluoromethyl)pyridine.
What is the SMILES notation for 4-[3-[2,6-bis(trifluoromethyl)-4-pyridinyl]-5-methylphenyl]-2,6-bis(trifluoromethyl)pyridine?
The canonical SMILES for 4-[3-[2,6-bis(trifluoromethyl)-4-pyridinyl]-5-methylphenyl]-2,6-bis(trifluoromethyl)pyridine is Cc1cc(-c2cc(C(F)(F)F)nc(C(F)(F)F)c2)cc(-c2cc(C(F)(F)F)nc(C(F)(F)F)c2)c1.
What is the InChIKey of 4-[3-[2,6-bis(trifluoromethyl)-4-pyridinyl]-5-methylphenyl]-2,6-bis(trifluoromethyl)pyridine?
The InChIKey is CYWWRNGKFSAWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H10F12N2/c1-9-2-10(12-5-14(18(22,23)24)34-15(6-12)19(25,26)27)4-11(3-9)13-7-16(20(28,29)30)35-17(8-13)21(31,32)33/h2-8H,1H3.
What are the key properties of 4-[3-[2,6-bis(trifluoromethyl)-4-pyridinyl]-5-methylphenyl]-2,6-bis(trifluoromethyl)pyridine?
4-[3-[2,6-bis(trifluoromethyl)-4-pyridinyl]-5-methylphenyl]-2,6-bis(trifluoromethyl)pyridine has a molecular weight of 518.30 g/mol, XLogP of 8.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2,6-bis(trifluoromethyl)-4-pyridinyl]-5-methylphenyl]-2,6-bis(trifluoromethyl)pyridine is sourced from PubChem (CID 132551113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).