2-[3,5-bis(trifluoromethyl)phenyl]-4-tert-butylpyridine;2-[3,5-bis(trifluoromethyl)phenyl]-5-methylpyridine;4-tert-butyl-2-(4-fluorophenyl)pyridine;2-(2,4-difluorophenyl)pyridine;1-methyl-3-[4-(trifluoromethyl)phenyl]benzene;2-[3-(trifluoromethyl)phenyl]pyridine

C83H66F21N5 — CID 91435354

IUPAC2-[3,5-bis(trifluoromethyl)phenyl]-4-tert-butylpyridine;2-[3,5-bis(trifluoromethyl)phenyl]-5-methylpyridine;4-tert-butyl-2-(4-fluorophenyl)pyridine;2-(2,4-difluorophenyl)pyridine;1-methyl-3-[4-(trifluoromethyl)phenyl]benzene;2-[3-(trifluoromethyl)phenyl]pyridine
SMILESCC(C)(C)c1ccnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1.CC(C)(C)c1ccnc(-c2ccc(F)cc2)c1.Cc1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc1.Cc1cccc(-c2ccc(C(F)(F)F)cc2)c1.FC(F)(F)c1cccc(-c2ccccn2)c1.Fc1ccc(-c2ccccn2)c(F)c1
InChIInChI=1S/C17H15F6N.C15H16FN.C14H9F6N.C14H11F3.C12H8F3N.C11H7F2N/c1-15(2,3)11-4-5-24-14(9-11)10-6-12(16(18,19)20)8-13(7-10)17(21,22)23;1-15(2,3)12-8-9-17-14(10-12)11-4-6-13(16)7-5-11;1-8-2-3-12(21-7-8)9-4-10(13(15,16)17)6-11(5-9)14(18,19)20;1-10-3-2-4-12(9-10)11-5-7-13(8-6-11)14(15,16)17;13-12(14,15)10-5-3-4-9(8-10)11-6-1-2-7-16-11;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11/h4-9H,1-3H3;4-10H,1-3H3;2-7H,1H3;2-9H,1H3;1-8H;1-7H
InChIKeyZKNISJPHPIBSHV-UHFFFAOYSA-N
MW1532.43 g/mol
LogP26.84
Rot. Bonds6

About 2-[3,5-bis(trifluoromethyl)phenyl]-4-tert-butylpyridine;2-[3,5-bis(trifluoromethyl)phenyl]-5-methylpyridine;4-tert-butyl-2-(4-fluorophenyl)pyridine;2-(2,4-difluorophenyl)pyridine;1-methyl-3-[4-(trifluoromethyl)phenyl]benzene;2-[3-(trifluoromethyl)phenyl]pyridine

2-[3,5-bis(trifluoromethyl)phenyl]-4-tert-butylpyridine;2-[3,5-bis(trifluoromethyl)phenyl]-5-methylpyridine;4-tert-butyl-2-(4-fluorophenyl)pyridine;2-(2,4-difluorophenyl)pyridine;1-methyl-3-[4-(trifluoromethyl)phenyl]benzene;2-[3-(trifluoromethyl)phenyl]pyridine (PubChem CID 91435354) has the molecular formula C83H66F21N5 and a molecular weight of 1532.43 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-4-tert-butylpyridine;2-[3,5-bis(trifluoromethyl)phenyl]-5-methylpyridine;4-tert-butyl-2-(4-fluorophenyl)pyridine;2-(2,4-difluorophenyl)pyridine;1-methyl-3-[4-(trifluoromethyl)phenyl]benzene;2-[3-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenyl]-4-tert-butylpyridine;2-[3,5-bis(trifluoromethyl)phenyl]-5-methylpyridine;4-tert-butyl-2-(4-fluorophenyl)pyridine;2-(2,4-difluorophenyl)pyridine;1-methyl-3-[4-(trifluoromethyl)phenyl]benzene;2-[3-(trifluoromethyl)phenyl]pyridine
PubChem CID91435354
Molecular FormulaC83H66F21N5
Molecular Weight1532.43 g/mol
Exact Mass1531.50
IUPAC Name2-[3,5-bis(trifluoromethyl)phenyl]-4-tert-butylpyridine;2-[3,5-bis(trifluoromethyl)phenyl]-5-methylpyridine;4-tert-butyl-2-(4-fluorophenyl)pyridine;2-(2,4-difluorophenyl)pyridine;1-methyl-3-[4-(trifluoromethyl)phenyl]benzene;2-[3-(trifluoromethyl)phenyl]pyridine
SMILESCC(C)(C)c1ccnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1.CC(C)(C)c1ccnc(-c2ccc(F)cc2)c1.Cc1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc1.Cc1cccc(-c2ccc(C(F)(F)F)cc2)c1.FC(F)(F)c1cccc(-c2ccccn2)c1.Fc1ccc(-c2ccccn2)c(F)c1
InChIInChI=1S/C17H15F6N.C15H16FN.C14H9F6N.C14H11F3.C12H8F3N.C11H7F2N/c1-15(2,3)11-4-5-24-14(9-11)10-6-12(16(18,19)20)8-13(7-10)17(21,22)23;1-15(2,3)12-8-9-17-14(10-12)11-4-6-13(16)7-5-11;1-8-2-3-12(21-7-8)9-4-10(13(15,16)17)6-11(5-9)14(18,19)20;1-10-3-2-4-12(9-10)11-5-7-13(8-6-11)14(15,16)17;13-12(14,15)10-5-3-4-9(8-10)11-6-1-2-7-16-11;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11/h4-9H,1-3H3;4-10H,1-3H3;2-7H,1H3;2-9H,1H3;1-8H;1-7H
InChIKeyZKNISJPHPIBSHV-UHFFFAOYSA-N
XLogP26.84
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms109
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001532.43
LogP ≤ 526.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3,5-bis(trifluoromethyl)phenyl]-4-tert-butylpyridine;2-[3,5-bis(trifluoromethyl)phenyl]-5-methylpyridine;4-tert-butyl-2-(4-fluorophenyl)pyridine;2-(2,4-difluorophenyl)pyridine;1-methyl-3-[4-(trifluoromethyl)phenyl]benzene;2-[3-(trifluoromethyl)phenyl]pyridine with MolForge

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Related Compounds

3-Benzyl-1-[5-[2,4,5-tris[5-(3-benzylpyridin-1-ium-1-yl)pentyl]phenyl]pentyl]pyridin-1-ium tetrabromide
CID 44159304
3-Phenyl-1-[5-[2,4,5-tris[5-(3-phenylpyridin-1-ium-1-yl)pentyl]phenyl]pentyl]pyridin-1-ium tetrabromide
CID 44159538
3-(2,2-Dipyridin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]pyridine
CID 66829417
1-[[3,5-Bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]-4-[1-[[3-[[4-[4-[[3,5-bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]phenyl]pyridin-1-ium-1-yl]methyl]-5-[[4-[1-[[3,5-bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium heptadecahexafluorophosphate
CID 46889633
1-[3,5-Bis[[4-[1-[[3,5-bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]-4-[1-[3,5-bis[[4-[1-[[3,5-bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium hexacosahexafluorophosphate
CID 46889635
Pyridoclax
CID 92042827
1,4-Di((2,2':6',2''-terpyridin)-4'-yl)benzene
CID 5103711
(4,4'-Di-tert-butyl-2,2'-bipyridine)bis[3,5-difluoro-2-[5-trifluoromethyl-2-pyridinyl-kappaN)phenyl-kappaC]iridium(III) Hexafluorophosphate
CID 53260182
(4,4'-Di-tert-butyl-2,2'-bipyridine)bis((2-pyridinyl)phenyl)iridium(III) Hexafluorophosphate
CID 60146995
1,1,2,2-Tetrakis(4-(pyridin-4-yl)phenyl)ethene
CID 90642886
1-[3,5-Bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]-4-[1-[3,5-bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium decahexafluorophosphate
CID 46222002
1-[[3,5-Bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium
CID 46889628

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-4-tert-butylpyridine;2-[3,5-bis(trifluoromethyl)phenyl]-5-methylpyridine;4-tert-butyl-2-(4-fluorophenyl)pyridine;2-(2,4-difluorophenyl)pyridine;1-methyl-3-[4-(trifluoromethyl)phenyl]benzene;2-[3-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-4-tert-butylpyridine;2-[3,5-bis(trifluoromethyl)phenyl]-5-methylpyridine;4-tert-butyl-2-(4-fluorophenyl)pyridine;2-(2,4-difluorophenyl)pyridine;1-methyl-3-[4-(trifluoromethyl)phenyl]benzene;2-[3-(trifluoromethyl)phenyl]pyridine (CID 91435354) is 2-[3,5-bis(trifluoromethyl)phenyl]-4-tert-butylpyridine;2-[3,5-bis(trifluoromethyl)phenyl]-5-methylpyridine;4-tert-butyl-2-(4-fluorophenyl)pyridine;2-(2,4-difluorophenyl)pyridine;1-methyl-3-[4-(trifluoromethyl)phenyl]benzene;2-[3-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]-4-tert-butylpyridine;2-[3,5-bis(trifluoromethyl)phenyl]-5-methylpyridine;4-tert-butyl-2-(4-fluorophenyl)pyridine;2-(2,4-difluorophenyl)pyridine;1-methyl-3-[4-(trifluoromethyl)phenyl]benzene;2-[3-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]-4-tert-butylpyridine;2-[3,5-bis(trifluoromethyl)phenyl]-5-methylpyridine;4-tert-butyl-2-(4-fluorophenyl)pyridine;2-(2,4-difluorophenyl)pyridine;1-methyl-3-[4-(trifluoromethyl)phenyl]benzene;2-[3-(trifluoromethyl)phenyl]pyridine is CC(C)(C)c1ccnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1.CC(C)(C)c1ccnc(-c2ccc(F)cc2)c1.Cc1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc1.Cc1cccc(-c2ccc(C(F)(F)F)cc2)c1.FC(F)(F)c1cccc(-c2ccccn2)c1.Fc1ccc(-c2ccccn2)c(F)c1.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]-4-tert-butylpyridine;2-[3,5-bis(trifluoromethyl)phenyl]-5-methylpyridine;4-tert-butyl-2-(4-fluorophenyl)pyridine;2-(2,4-difluorophenyl)pyridine;1-methyl-3-[4-(trifluoromethyl)phenyl]benzene;2-[3-(trifluoromethyl)phenyl]pyridine?
The InChIKey is ZKNISJPHPIBSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F6N.C15H16FN.C14H9F6N.C14H11F3.C12H8F3N.C11H7F2N/c1-15(2,3)11-4-5-24-14(9-11)10-6-12(16(18,19)20)8-13(7-10)17(21,22)23;1-15(2,3)12-8-9-17-14(10-12)11-4-6-13(16)7-5-11;1-8-2-3-12(21-7-8)9-4-10(13(15,16)17)6-11(5-9)14(18,19)20;1-10-3-2-4-12(9-10)11-5-7-13(8-6-11)14(15,16)17;13-12(14,15)10-5-3-4-9(8-10)11-6-1-2-7-16-11;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11/h4-9H,1-3H3;4-10H,1-3H3;2-7H,1H3;2-9H,1H3;1-8H;1-7H.
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]-4-tert-butylpyridine;2-[3,5-bis(trifluoromethyl)phenyl]-5-methylpyridine;4-tert-butyl-2-(4-fluorophenyl)pyridine;2-(2,4-difluorophenyl)pyridine;1-methyl-3-[4-(trifluoromethyl)phenyl]benzene;2-[3-(trifluoromethyl)phenyl]pyridine?
2-[3,5-bis(trifluoromethyl)phenyl]-4-tert-butylpyridine;2-[3,5-bis(trifluoromethyl)phenyl]-5-methylpyridine;4-tert-butyl-2-(4-fluorophenyl)pyridine;2-(2,4-difluorophenyl)pyridine;1-methyl-3-[4-(trifluoromethyl)phenyl]benzene;2-[3-(trifluoromethyl)phenyl]pyridine has a molecular weight of 1532.43 g/mol, XLogP of 26.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenyl]-4-tert-butylpyridine;2-[3,5-bis(trifluoromethyl)phenyl]-5-methylpyridine;4-tert-butyl-2-(4-fluorophenyl)pyridine;2-(2,4-difluorophenyl)pyridine;1-methyl-3-[4-(trifluoromethyl)phenyl]benzene;2-[3-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 91435354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).