2-tert-butyl-3-chloro-5-methylpyridine;2-tert-butyl-3-fluoro-5-methylpyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine

C60H82ClF7N6 — CID 159171810

IUPAC2-tert-butyl-3-chloro-5-methylpyridine;2-tert-butyl-3-fluoro-5-methylpyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1cc(C(F)(F)F)ccn1.CC(C)(C)c1cccc(C(F)(F)F)n1.Cc1ccc(C(C)(C)C)nc1.Cc1cccnc1C(C)(C)C.Cc1cnc(C(C)(C)C)c(Cl)c1.Cc1cnc(C(C)(C)C)c(F)c1
InChIInChI=1S/C10H14ClN.2C10H12F3N.C10H14FN.2C10H15N/c1-7-5-8(11)9(12-6-7)10(2,3)4;1-9(2,3)8-6-7(4-5-14-8)10(11,12)13;1-9(2,3)7-5-4-6-8(14-7)10(11,12)13;1-7-5-8(11)9(12-6-7)10(2,3)4;1-8-5-6-9(11-7-8)10(2,3)4;1-8-6-5-7-11-9(8)10(2,3)4/h5-6H,1-4H3;2*4-6H,1-3H3;5-6H,1-4H3;2*5-7H,1-4H3
InChIKeyKLTZTBLESALJFK-UHFFFAOYSA-N
MW1055.80 g/mol
LogP18.34
Rot. Bonds

About 2-tert-butyl-3-chloro-5-methylpyridine;2-tert-butyl-3-fluoro-5-methylpyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine

2-tert-butyl-3-chloro-5-methylpyridine;2-tert-butyl-3-fluoro-5-methylpyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine (PubChem CID 159171810) has the molecular formula C60H82ClF7N6 and a molecular weight of 1055.80 g/mol. Its IUPAC name is 2-tert-butyl-3-chloro-5-methylpyridine;2-tert-butyl-3-fluoro-5-methylpyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-tert-butyl-3-chloro-5-methylpyridine;2-tert-butyl-3-fluoro-5-methylpyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine
PubChem CID159171810
Molecular FormulaC60H82ClF7N6
Molecular Weight1055.80 g/mol
Exact Mass1054.62
IUPAC Name2-tert-butyl-3-chloro-5-methylpyridine;2-tert-butyl-3-fluoro-5-methylpyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1cc(C(F)(F)F)ccn1.CC(C)(C)c1cccc(C(F)(F)F)n1.Cc1ccc(C(C)(C)C)nc1.Cc1cccnc1C(C)(C)C.Cc1cnc(C(C)(C)C)c(Cl)c1.Cc1cnc(C(C)(C)C)c(F)c1
InChIInChI=1S/C10H14ClN.2C10H12F3N.C10H14FN.2C10H15N/c1-7-5-8(11)9(12-6-7)10(2,3)4;1-9(2,3)8-6-7(4-5-14-8)10(11,12)13;1-9(2,3)7-5-4-6-8(14-7)10(11,12)13;1-7-5-8(11)9(12-6-7)10(2,3)4;1-8-5-6-9(11-7-8)10(2,3)4;1-8-6-5-7-11-9(8)10(2,3)4/h5-6H,1-4H3;2*4-6H,1-3H3;5-6H,1-4H3;2*5-7H,1-4H3
InChIKeyKLTZTBLESALJFK-UHFFFAOYSA-N
XLogP18.34
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001055.80
LogP ≤ 518.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-tert-butyl-3-chloro-5-methylpyridine;2-tert-butyl-3-fluoro-5-methylpyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
6,6'-Bis(1,1-di(pyridin-2-yl)ethyl)-2,2'-bipyridine
CID 102443041
Tris[4,4'-bis(t-butyl)-2,2'-bipyridine]ruthenium(II) hexafluorophosphate
CID 12971076
Tris(4,4'-dimethyl-2,2'-bipyridine)ruthenium(II) hexafluorophosphate
CID 15198704
Iridium(3+) ion bis(3,5-difluoro-2-(pyridin-2-yl)benzen-1-ide) 4-tert-butyl-2-(4-tert-butylpyridin-2-yl)pyridine hexafluoro-lambda5-phosphanuide
CID 137698751
(4,4'-Di-t-butyl-2,2'-bipyridine)bis[3,5-difluoro-2-[5-trifluoromethyl-2-pyridinyl-kN)phenyl-kC]iridium(III) hexafluorophosphate
CID 60147002
(2,2-Bipyridine)bis[3,5-difluoro-2-[5-trifluoromethyl-2-pyridinyl-kN)phenyl-kC]iridium(III) hexafluorophosphate
CID 71534097
Lambda2-ruthenium(2+) tris(4-ethenyl-4'-methyl-2,2'-bipyridine) bis(hexafluoro-lambda5-phosphanuide)
CID 165604873
4,4'-Bis(trifluoromethyl)-2,2'-bipyridinebis(3,5-difluoro-2-(5-methyl-2-pyridinyl)phenyl) iridium(iii) hexafluorophosphate
CID 166604231
Tetrakis(2-(2,4-difluorophenyl)pyridine);bis(iridium);dichloride
CID 170996857
Bis(4-chloro-2-(4-chloro-2-pyridinyl)pyridine);ruthenium(2+);bis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide);dihydrate
CID 139238460

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-chloro-5-methylpyridine;2-tert-butyl-3-fluoro-5-methylpyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-tert-butyl-3-chloro-5-methylpyridine;2-tert-butyl-3-fluoro-5-methylpyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine (CID 159171810) is 2-tert-butyl-3-chloro-5-methylpyridine;2-tert-butyl-3-fluoro-5-methylpyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-tert-butyl-3-chloro-5-methylpyridine;2-tert-butyl-3-fluoro-5-methylpyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-tert-butyl-3-chloro-5-methylpyridine;2-tert-butyl-3-fluoro-5-methylpyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine is CC(C)(C)c1cc(C(F)(F)F)ccn1.CC(C)(C)c1cccc(C(F)(F)F)n1.Cc1ccc(C(C)(C)C)nc1.Cc1cccnc1C(C)(C)C.Cc1cnc(C(C)(C)C)c(Cl)c1.Cc1cnc(C(C)(C)C)c(F)c1.
What is the InChIKey of 2-tert-butyl-3-chloro-5-methylpyridine;2-tert-butyl-3-fluoro-5-methylpyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine?
The InChIKey is KLTZTBLESALJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN.2C10H12F3N.C10H14FN.2C10H15N/c1-7-5-8(11)9(12-6-7)10(2,3)4;1-9(2,3)8-6-7(4-5-14-8)10(11,12)13;1-9(2,3)7-5-4-6-8(14-7)10(11,12)13;1-7-5-8(11)9(12-6-7)10(2,3)4;1-8-5-6-9(11-7-8)10(2,3)4;1-8-6-5-7-11-9(8)10(2,3)4/h5-6H,1-4H3;2*4-6H,1-3H3;5-6H,1-4H3;2*5-7H,1-4H3.
What are the key properties of 2-tert-butyl-3-chloro-5-methylpyridine;2-tert-butyl-3-fluoro-5-methylpyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine?
2-tert-butyl-3-chloro-5-methylpyridine;2-tert-butyl-3-fluoro-5-methylpyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine has a molecular weight of 1055.80 g/mol, XLogP of 18.34, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-chloro-5-methylpyridine;2-tert-butyl-3-fluoro-5-methylpyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 159171810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).