2-tert-butyl-5-methylpyridine;3-[(3-chloro-2,5-dimethylphenoxy)methyl]-1-methylpyrrolidine;3-(3-chloro-2,5-dimethylphenoxy)-1-methylpyrrolidine;1-(3-chloro-2,5-dimethylphenyl)bicyclo[3.1.0]hexane;4-[(3-chloro-2,5-dimethylphenyl)methyl]-1,4-diazabicyclo[3.2.1]octane;4-[[2,5-dimethyl-3-(trifluoromethoxy)phenyl]methyl]morpholine;1-fluoro-3-methyl-5-(trifluoromethoxy)benzene;5-methyl-1,3-benzodioxole;2-methyl-4-(trifluoromethoxy)pyridine

C103H129Cl4F10N7O8 — CID 167632143

IUPAC2-tert-butyl-5-methylpyridine;3-[(3-chloro-2,5-dimethylphenoxy)methyl]-1-methylpyrrolidine;3-(3-chloro-2,5-dimethylphenoxy)-1-methylpyrrolidine;1-(3-chloro-2,5-dimethylphenyl)bicyclo[3.1.0]hexane;4-[(3-chloro-2,5-dimethylphenyl)methyl]-1,4-diazabicyclo[3.2.1]octane;4-[[2,5-dimethyl-3-(trifluoromethoxy)phenyl]methyl]morpholine;1-fluoro-3-methyl-5-(trifluoromethoxy)benzene;5-methyl-1,3-benzodioxole;2-methyl-4-(trifluoromethoxy)pyridine
SMILESCc1cc(CN2CCOCC2)c(C)c(OC(F)(F)F)c1.Cc1cc(Cl)c(C)c(C23CCCC2C3)c1.Cc1cc(Cl)c(C)c(CN2CCN3CCC2C3)c1.Cc1cc(Cl)c(C)c(OC2CCN(C)C2)c1.Cc1cc(Cl)c(C)c(OCC2CCN(C)C2)c1.Cc1cc(F)cc(OC(F)(F)F)c1.Cc1cc(OC(F)(F)F)ccn1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc2c(c1)OCO2
InChIInChI=1S/C15H21ClN2.C14H20ClNO.C14H17Cl.C14H18F3NO2.C13H18ClNO.C10H15N.C8H6F4O.C8H8O2.C7H6F3NO/c1-11-7-13(12(2)15(16)8-11)9-18-6-5-17-4-3-14(18)10-17;1-10-6-13(15)11(2)14(7-10)17-9-12-4-5-16(3)8-12;1-9-6-12(10(2)13(15)7-9)14-5-3-4-11(14)8-14;1-10-7-12(9-18-3-5-19-6-4-18)11(2)13(8-10)20-14(15,16)17;1-9-6-12(14)10(2)13(7-9)16-11-4-5-15(3)8-11;1-8-5-6-9(11-7-8)10(2,3)4;1-5-2-6(9)4-7(3-5)13-8(10,11)12;1-6-2-3-7-8(4-6)10-5-9-7;1-5-4-6(2-3-11-5)12-7(8,9)10/h7-8,14H,3-6,9-10H2,1-2H3;6-7,12H,4-5,8-9H2,1-3H3;6-7,11H,3-5,8H2,1-2H3;7-8H,3-6,9H2,1-2H3;6-7,11H,4-5,8H2,1-3H3;5-7H,1-4H3;2-4H,1H3;2-4H,5H2,1H3;2-4H,1H3
InChIKeyNYPVTAAWIBZXCW-UHFFFAOYSA-N
MW1925.00 g/mol
LogP26.34
Rot. Bonds13

About 2-tert-butyl-5-methylpyridine;3-[(3-chloro-2,5-dimethylphenoxy)methyl]-1-methylpyrrolidine;3-(3-chloro-2,5-dimethylphenoxy)-1-methylpyrrolidine;1-(3-chloro-2,5-dimethylphenyl)bicyclo[3.1.0]hexane;4-[(3-chloro-2,5-dimethylphenyl)methyl]-1,4-diazabicyclo[3.2.1]octane;4-[[2,5-dimethyl-3-(trifluoromethoxy)phenyl]methyl]morpholine;1-fluoro-3-methyl-5-(trifluoromethoxy)benzene;5-methyl-1,3-benzodioxole;2-methyl-4-(trifluoromethoxy)pyridine

2-tert-butyl-5-methylpyridine;3-[(3-chloro-2,5-dimethylphenoxy)methyl]-1-methylpyrrolidine;3-(3-chloro-2,5-dimethylphenoxy)-1-methylpyrrolidine;1-(3-chloro-2,5-dimethylphenyl)bicyclo[3.1.0]hexane;4-[(3-chloro-2,5-dimethylphenyl)methyl]-1,4-diazabicyclo[3.2.1]octane;4-[[2,5-dimethyl-3-(trifluoromethoxy)phenyl]methyl]morpholine;1-fluoro-3-methyl-5-(trifluoromethoxy)benzene;5-methyl-1,3-benzodioxole;2-methyl-4-(trifluoromethoxy)pyridine (PubChem CID 167632143) has the molecular formula C103H129Cl4F10N7O8 and a molecular weight of 1925.00 g/mol. Its IUPAC name is 2-tert-butyl-5-methylpyridine;3-[(3-chloro-2,5-dimethylphenoxy)methyl]-1-methylpyrrolidine;3-(3-chloro-2,5-dimethylphenoxy)-1-methylpyrrolidine;1-(3-chloro-2,5-dimethylphenyl)bicyclo[3.1.0]hexane;4-[(3-chloro-2,5-dimethylphenyl)methyl]-1,4-diazabicyclo[3.2.1]octane;4-[[2,5-dimethyl-3-(trifluoromethoxy)phenyl]methyl]morpholine;1-fluoro-3-methyl-5-(trifluoromethoxy)benzene;5-methyl-1,3-benzodioxole;2-methyl-4-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name2-tert-butyl-5-methylpyridine;3-[(3-chloro-2,5-dimethylphenoxy)methyl]-1-methylpyrrolidine;3-(3-chloro-2,5-dimethylphenoxy)-1-methylpyrrolidine;1-(3-chloro-2,5-dimethylphenyl)bicyclo[3.1.0]hexane;4-[(3-chloro-2,5-dimethylphenyl)methyl]-1,4-diazabicyclo[3.2.1]octane;4-[[2,5-dimethyl-3-(trifluoromethoxy)phenyl]methyl]morpholine;1-fluoro-3-methyl-5-(trifluoromethoxy)benzene;5-methyl-1,3-benzodioxole;2-methyl-4-(trifluoromethoxy)pyridine
PubChem CID167632143
Molecular FormulaC103H129Cl4F10N7O8
Molecular Weight1925.00 g/mol
Exact Mass1921.85
IUPAC Name2-tert-butyl-5-methylpyridine;3-[(3-chloro-2,5-dimethylphenoxy)methyl]-1-methylpyrrolidine;3-(3-chloro-2,5-dimethylphenoxy)-1-methylpyrrolidine;1-(3-chloro-2,5-dimethylphenyl)bicyclo[3.1.0]hexane;4-[(3-chloro-2,5-dimethylphenyl)methyl]-1,4-diazabicyclo[3.2.1]octane;4-[[2,5-dimethyl-3-(trifluoromethoxy)phenyl]methyl]morpholine;1-fluoro-3-methyl-5-(trifluoromethoxy)benzene;5-methyl-1,3-benzodioxole;2-methyl-4-(trifluoromethoxy)pyridine
SMILESCc1cc(CN2CCOCC2)c(C)c(OC(F)(F)F)c1.Cc1cc(Cl)c(C)c(C23CCCC2C3)c1.Cc1cc(Cl)c(C)c(CN2CCN3CCC2C3)c1.Cc1cc(Cl)c(C)c(OC2CCN(C)C2)c1.Cc1cc(Cl)c(C)c(OCC2CCN(C)C2)c1.Cc1cc(F)cc(OC(F)(F)F)c1.Cc1cc(OC(F)(F)F)ccn1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc2c(c1)OCO2
InChIInChI=1S/C15H21ClN2.C14H20ClNO.C14H17Cl.C14H18F3NO2.C13H18ClNO.C10H15N.C8H6F4O.C8H8O2.C7H6F3NO/c1-11-7-13(12(2)15(16)8-11)9-18-6-5-17-4-3-14(18)10-17;1-10-6-13(15)11(2)14(7-10)17-9-12-4-5-16(3)8-12;1-9-6-12(10(2)13(15)7-9)14-5-3-4-11(14)8-14;1-10-7-12(9-18-3-5-19-6-4-18)11(2)13(8-10)20-14(15,16)17;1-9-6-12(14)10(2)13(7-9)16-11-4-5-15(3)8-11;1-8-5-6-9(11-7-8)10(2,3)4;1-5-2-6(9)4-7(3-5)13-8(10,11)12;1-6-2-3-7-8(4-6)10-5-9-7;1-5-4-6(2-3-11-5)12-7(8,9)10/h7-8,14H,3-6,9-10H2,1-2H3;6-7,12H,4-5,8-9H2,1-3H3;6-7,11H,3-5,8H2,1-2H3;7-8H,3-6,9H2,1-2H3;6-7,11H,4-5,8H2,1-3H3;5-7H,1-4H3;2-4H,1H3;2-4H,5H2,1H3;2-4H,1H3
InChIKeyNYPVTAAWIBZXCW-UHFFFAOYSA-N
XLogP26.34
TPSA115.82 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001925.00
LogP ≤ 526.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 2-tert-butyl-5-methylpyridine;3-[(3-chloro-2,5-dimethylphenoxy)methyl]-1-methylpyrrolidine;3-(3-chloro-2,5-dimethylphenoxy)-1-methylpyrrolidine;1-(3-chloro-2,5-dimethylphenyl)bicyclo[3.1.0]hexane;4-[(3-chloro-2,5-dimethylphenyl)methyl]-1,4-diazabicyclo[3.2.1]octane;4-[[2,5-dimethyl-3-(trifluoromethoxy)phenyl]methyl]morpholine;1-fluoro-3-methyl-5-(trifluoromethoxy)benzene;5-methyl-1,3-benzodioxole;2-methyl-4-(trifluoromethoxy)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methylpyridine;3-[(3-chloro-2,5-dimethylphenoxy)methyl]-1-methylpyrrolidine;3-(3-chloro-2,5-dimethylphenoxy)-1-methylpyrrolidine;1-(3-chloro-2,5-dimethylphenyl)bicyclo[3.1.0]hexane;4-[(3-chloro-2,5-dimethylphenyl)methyl]-1,4-diazabicyclo[3.2.1]octane;4-[[2,5-dimethyl-3-(trifluoromethoxy)phenyl]methyl]morpholine;1-fluoro-3-methyl-5-(trifluoromethoxy)benzene;5-methyl-1,3-benzodioxole;2-methyl-4-(trifluoromethoxy)pyridine?
The IUPAC name of 2-tert-butyl-5-methylpyridine;3-[(3-chloro-2,5-dimethylphenoxy)methyl]-1-methylpyrrolidine;3-(3-chloro-2,5-dimethylphenoxy)-1-methylpyrrolidine;1-(3-chloro-2,5-dimethylphenyl)bicyclo[3.1.0]hexane;4-[(3-chloro-2,5-dimethylphenyl)methyl]-1,4-diazabicyclo[3.2.1]octane;4-[[2,5-dimethyl-3-(trifluoromethoxy)phenyl]methyl]morpholine;1-fluoro-3-methyl-5-(trifluoromethoxy)benzene;5-methyl-1,3-benzodioxole;2-methyl-4-(trifluoromethoxy)pyridine (CID 167632143) is 2-tert-butyl-5-methylpyridine;3-[(3-chloro-2,5-dimethylphenoxy)methyl]-1-methylpyrrolidine;3-(3-chloro-2,5-dimethylphenoxy)-1-methylpyrrolidine;1-(3-chloro-2,5-dimethylphenyl)bicyclo[3.1.0]hexane;4-[(3-chloro-2,5-dimethylphenyl)methyl]-1,4-diazabicyclo[3.2.1]octane;4-[[2,5-dimethyl-3-(trifluoromethoxy)phenyl]methyl]morpholine;1-fluoro-3-methyl-5-(trifluoromethoxy)benzene;5-methyl-1,3-benzodioxole;2-methyl-4-(trifluoromethoxy)pyridine.
What is the SMILES notation for 2-tert-butyl-5-methylpyridine;3-[(3-chloro-2,5-dimethylphenoxy)methyl]-1-methylpyrrolidine;3-(3-chloro-2,5-dimethylphenoxy)-1-methylpyrrolidine;1-(3-chloro-2,5-dimethylphenyl)bicyclo[3.1.0]hexane;4-[(3-chloro-2,5-dimethylphenyl)methyl]-1,4-diazabicyclo[3.2.1]octane;4-[[2,5-dimethyl-3-(trifluoromethoxy)phenyl]methyl]morpholine;1-fluoro-3-methyl-5-(trifluoromethoxy)benzene;5-methyl-1,3-benzodioxole;2-methyl-4-(trifluoromethoxy)pyridine?
The canonical SMILES for 2-tert-butyl-5-methylpyridine;3-[(3-chloro-2,5-dimethylphenoxy)methyl]-1-methylpyrrolidine;3-(3-chloro-2,5-dimethylphenoxy)-1-methylpyrrolidine;1-(3-chloro-2,5-dimethylphenyl)bicyclo[3.1.0]hexane;4-[(3-chloro-2,5-dimethylphenyl)methyl]-1,4-diazabicyclo[3.2.1]octane;4-[[2,5-dimethyl-3-(trifluoromethoxy)phenyl]methyl]morpholine;1-fluoro-3-methyl-5-(trifluoromethoxy)benzene;5-methyl-1,3-benzodioxole;2-methyl-4-(trifluoromethoxy)pyridine is Cc1cc(CN2CCOCC2)c(C)c(OC(F)(F)F)c1.Cc1cc(Cl)c(C)c(C23CCCC2C3)c1.Cc1cc(Cl)c(C)c(CN2CCN3CCC2C3)c1.Cc1cc(Cl)c(C)c(OC2CCN(C)C2)c1.Cc1cc(Cl)c(C)c(OCC2CCN(C)C2)c1.Cc1cc(F)cc(OC(F)(F)F)c1.Cc1cc(OC(F)(F)F)ccn1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc2c(c1)OCO2.
What is the InChIKey of 2-tert-butyl-5-methylpyridine;3-[(3-chloro-2,5-dimethylphenoxy)methyl]-1-methylpyrrolidine;3-(3-chloro-2,5-dimethylphenoxy)-1-methylpyrrolidine;1-(3-chloro-2,5-dimethylphenyl)bicyclo[3.1.0]hexane;4-[(3-chloro-2,5-dimethylphenyl)methyl]-1,4-diazabicyclo[3.2.1]octane;4-[[2,5-dimethyl-3-(trifluoromethoxy)phenyl]methyl]morpholine;1-fluoro-3-methyl-5-(trifluoromethoxy)benzene;5-methyl-1,3-benzodioxole;2-methyl-4-(trifluoromethoxy)pyridine?
The InChIKey is NYPVTAAWIBZXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2.C14H20ClNO.C14H17Cl.C14H18F3NO2.C13H18ClNO.C10H15N.C8H6F4O.C8H8O2.C7H6F3NO/c1-11-7-13(12(2)15(16)8-11)9-18-6-5-17-4-3-14(18)10-17;1-10-6-13(15)11(2)14(7-10)17-9-12-4-5-16(3)8-12;1-9-6-12(10(2)13(15)7-9)14-5-3-4-11(14)8-14;1-10-7-12(9-18-3-5-19-6-4-18)11(2)13(8-10)20-14(15,16)17;1-9-6-12(14)10(2)13(7-9)16-11-4-5-15(3)8-11;1-8-5-6-9(11-7-8)10(2,3)4;1-5-2-6(9)4-7(3-5)13-8(10,11)12;1-6-2-3-7-8(4-6)10-5-9-7;1-5-4-6(2-3-11-5)12-7(8,9)10/h7-8,14H,3-6,9-10H2,1-2H3;6-7,12H,4-5,8-9H2,1-3H3;6-7,11H,3-5,8H2,1-2H3;7-8H,3-6,9H2,1-2H3;6-7,11H,4-5,8H2,1-3H3;5-7H,1-4H3;2-4H,1H3;2-4H,5H2,1H3;2-4H,1H3.
What are the key properties of 2-tert-butyl-5-methylpyridine;3-[(3-chloro-2,5-dimethylphenoxy)methyl]-1-methylpyrrolidine;3-(3-chloro-2,5-dimethylphenoxy)-1-methylpyrrolidine;1-(3-chloro-2,5-dimethylphenyl)bicyclo[3.1.0]hexane;4-[(3-chloro-2,5-dimethylphenyl)methyl]-1,4-diazabicyclo[3.2.1]octane;4-[[2,5-dimethyl-3-(trifluoromethoxy)phenyl]methyl]morpholine;1-fluoro-3-methyl-5-(trifluoromethoxy)benzene;5-methyl-1,3-benzodioxole;2-methyl-4-(trifluoromethoxy)pyridine?
2-tert-butyl-5-methylpyridine;3-[(3-chloro-2,5-dimethylphenoxy)methyl]-1-methylpyrrolidine;3-(3-chloro-2,5-dimethylphenoxy)-1-methylpyrrolidine;1-(3-chloro-2,5-dimethylphenyl)bicyclo[3.1.0]hexane;4-[(3-chloro-2,5-dimethylphenyl)methyl]-1,4-diazabicyclo[3.2.1]octane;4-[[2,5-dimethyl-3-(trifluoromethoxy)phenyl]methyl]morpholine;1-fluoro-3-methyl-5-(trifluoromethoxy)benzene;5-methyl-1,3-benzodioxole;2-methyl-4-(trifluoromethoxy)pyridine has a molecular weight of 1925.00 g/mol, XLogP of 26.34, 13 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methylpyridine;3-[(3-chloro-2,5-dimethylphenoxy)methyl]-1-methylpyrrolidine;3-(3-chloro-2,5-dimethylphenoxy)-1-methylpyrrolidine;1-(3-chloro-2,5-dimethylphenyl)bicyclo[3.1.0]hexane;4-[(3-chloro-2,5-dimethylphenyl)methyl]-1,4-diazabicyclo[3.2.1]octane;4-[[2,5-dimethyl-3-(trifluoromethoxy)phenyl]methyl]morpholine;1-fluoro-3-methyl-5-(trifluoromethoxy)benzene;5-methyl-1,3-benzodioxole;2-methyl-4-(trifluoromethoxy)pyridine is sourced from PubChem (CID 167632143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).