2-tert-butyl-5-methylpyridine;1-(3-chloro-2,5-dimethylphenyl)bicyclo[3.1.0]hexane;3-[(3-chloro-2,5-dimethylphenyl)methyl]oxane;4-[[2,5-dimethyl-3-(trifluoromethoxy)phenyl]methyl]morpholine;1-methyl-5-(3-methylphenyl)pyrazole

C63H81Cl2F3N4O3 — CID 167559194

IUPAC2-tert-butyl-5-methylpyridine;1-(3-chloro-2,5-dimethylphenyl)bicyclo[3.1.0]hexane;3-[(3-chloro-2,5-dimethylphenyl)methyl]oxane;4-[[2,5-dimethyl-3-(trifluoromethoxy)phenyl]methyl]morpholine;1-methyl-5-(3-methylphenyl)pyrazole

SMILESCc1cc(CN2CCOCC2)c(C)c(OC(F)(F)F)c1.Cc1cc(Cl)c(C)c(C23CCCC2C3)c1.Cc1cc(Cl)c(C)c(CC2CCCOC2)c1.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(-c2ccnn2C)c1

InChIInChI=1S/C14H19ClO.C14H17Cl.C14H18F3NO2.C11H12N2.C10H15N/c1-10-6-13(11(2)14(15)7-10)8-12-4-3-5-16-9-12;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;1-9-4-3-5-10(8-9)11-6-7-12-13(11)2;1-8-5-6-9(11-7-8)10(2,3)4/h6-7,12H,3-5,8-9H2,1-2H3;6-7,11H,3-5,8H2,1-2H3;7-8H,3-6,9H2,1-2H3;3-8H,1-2H3;5-7H,1-4H3

InChIKeyDKNLFXIDNOKIJW-UHFFFAOYSA-N

MW1070.27 g/mol

LogP16.44

Rot. Bonds7

About 2-tert-butyl-5-methylpyridine;1-(3-chloro-2,5-dimethylphenyl)bicyclo[3.1.0]hexane;3-[(3-chloro-2,5-dimethylphenyl)methyl]oxane;4-[[2,5-dimethyl-3-(trifluoromethoxy)phenyl]methyl]morpholine;1-methyl-5-(3-methylphenyl)pyrazole

2-tert-butyl-5-methylpyridine;1-(3-chloro-2,5-dimethylphenyl)bicyclo[3.1.0]hexane;3-[(3-chloro-2,5-dimethylphenyl)methyl]oxane;4-[[2,5-dimethyl-3-(trifluoromethoxy)phenyl]methyl]morpholine;1-methyl-5-(3-methylphenyl)pyrazole (PubChem CID 167559194) has the molecular formula C63H81Cl2F3N4O3 and a molecular weight of 1070.27 g/mol. Its IUPAC name is 2-tert-butyl-5-methylpyridine;1-(3-chloro-2,5-dimethylphenyl)bicyclo[3.1.0]hexane;3-[(3-chloro-2,5-dimethylphenyl)methyl]oxane;4-[[2,5-dimethyl-3-(trifluoromethoxy)phenyl]methyl]morpholine;1-methyl-5-(3-methylphenyl)pyrazole.

Molecular Properties

Compound Name	2-tert-butyl-5-methylpyridine;1-(3-chloro-2,5-dimethylphenyl)bicyclo[3.1.0]hexane;3-[(3-chloro-2,5-dimethylphenyl)methyl]oxane;4-[[2,5-dimethyl-3-(trifluoromethoxy)phenyl]methyl]morpholine;1-methyl-5-(3-methylphenyl)pyrazole
PubChem CID	167559194
Molecular Formula	C63H81Cl2F3N4O3
Molecular Weight	1070.27 g/mol
Exact Mass	1068.56
IUPAC Name	2-tert-butyl-5-methylpyridine;1-(3-chloro-2,5-dimethylphenyl)bicyclo[3.1.0]hexane;3-[(3-chloro-2,5-dimethylphenyl)methyl]oxane;4-[[2,5-dimethyl-3-(trifluoromethoxy)phenyl]methyl]morpholine;1-methyl-5-(3-methylphenyl)pyrazole
SMILES	Cc1cc(CN2CCOCC2)c(C)c(OC(F)(F)F)c1.Cc1cc(Cl)c(C)c(C23CCCC2C3)c1.Cc1cc(Cl)c(C)c(CC2CCCOC2)c1.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(-c2ccnn2C)c1
InChI	InChI=1S/C14H19ClO.C14H17Cl.C14H18F3NO2.C11H12N2.C10H15N/c1-10-6-13(11(2)14(15)7-10)8-12-4-3-5-16-9-12;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;1-9-4-3-5-10(8-9)11-6-7-12-13(11)2;1-8-5-6-9(11-7-8)10(2,3)4/h6-7,12H,3-5,8-9H2,1-2H3;6-7,11H,3-5,8H2,1-2H3;7-8H,3-6,9H2,1-2H3;3-8H,1-2H3;5-7H,1-4H3
InChIKey	DKNLFXIDNOKIJW-UHFFFAOYSA-N
XLogP	16.44
TPSA	61.64 Å²
H-Bond Donors
H-Bond Acceptors	7
Rotatable Bonds	7
Heavy Atoms	75
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1070.27
LogP ≤ 5	16.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methylpyridine;1-(3-chloro-2,5-dimethylphenyl)bicyclo[3.1.0]hexane;3-[(3-chloro-2,5-dimethylphenyl)methyl]oxane;4-[[2,5-dimethyl-3-(trifluoromethoxy)phenyl]methyl]morpholine;1-methyl-5-(3-methylphenyl)pyrazole?

The IUPAC name of 2-tert-butyl-5-methylpyridine;1-(3-chloro-2,5-dimethylphenyl)bicyclo[3.1.0]hexane;3-[(3-chloro-2,5-dimethylphenyl)methyl]oxane;4-[[2,5-dimethyl-3-(trifluoromethoxy)phenyl]methyl]morpholine;1-methyl-5-(3-methylphenyl)pyrazole (CID 167559194) is 2-tert-butyl-5-methylpyridine;1-(3-chloro-2,5-dimethylphenyl)bicyclo[3.1.0]hexane;3-[(3-chloro-2,5-dimethylphenyl)methyl]oxane;4-[[2,5-dimethyl-3-(trifluoromethoxy)phenyl]methyl]morpholine;1-methyl-5-(3-methylphenyl)pyrazole.

What is the SMILES notation for 2-tert-butyl-5-methylpyridine;1-(3-chloro-2,5-dimethylphenyl)bicyclo[3.1.0]hexane;3-[(3-chloro-2,5-dimethylphenyl)methyl]oxane;4-[[2,5-dimethyl-3-(trifluoromethoxy)phenyl]methyl]morpholine;1-methyl-5-(3-methylphenyl)pyrazole?

The canonical SMILES for 2-tert-butyl-5-methylpyridine;1-(3-chloro-2,5-dimethylphenyl)bicyclo[3.1.0]hexane;3-[(3-chloro-2,5-dimethylphenyl)methyl]oxane;4-[[2,5-dimethyl-3-(trifluoromethoxy)phenyl]methyl]morpholine;1-methyl-5-(3-methylphenyl)pyrazole is Cc1cc(CN2CCOCC2)c(C)c(OC(F)(F)F)c1.Cc1cc(Cl)c(C)c(C23CCCC2C3)c1.Cc1cc(Cl)c(C)c(CC2CCCOC2)c1.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(-c2ccnn2C)c1.

What is the InChIKey of 2-tert-butyl-5-methylpyridine;1-(3-chloro-2,5-dimethylphenyl)bicyclo[3.1.0]hexane;3-[(3-chloro-2,5-dimethylphenyl)methyl]oxane;4-[[2,5-dimethyl-3-(trifluoromethoxy)phenyl]methyl]morpholine;1-methyl-5-(3-methylphenyl)pyrazole?

The InChIKey is DKNLFXIDNOKIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO.C14H17Cl.C14H18F3NO2.C11H12N2.C10H15N/c1-10-6-13(11(2)14(15)7-10)8-12-4-3-5-16-9-12;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;1-9-4-3-5-10(8-9)11-6-7-12-13(11)2;1-8-5-6-9(11-7-8)10(2,3)4/h6-7,12H,3-5,8-9H2,1-2H3;6-7,11H,3-5,8H2,1-2H3;7-8H,3-6,9H2,1-2H3;3-8H,1-2H3;5-7H,1-4H3.

What are the key properties of 2-tert-butyl-5-methylpyridine;1-(3-chloro-2,5-dimethylphenyl)bicyclo[3.1.0]hexane;3-[(3-chloro-2,5-dimethylphenyl)methyl]oxane;4-[[2,5-dimethyl-3-(trifluoromethoxy)phenyl]methyl]morpholine;1-methyl-5-(3-methylphenyl)pyrazole?

Where does this data come from?

All data for 2-tert-butyl-5-methylpyridine;1-(3-chloro-2,5-dimethylphenyl)bicyclo[3.1.0]hexane;3-[(3-chloro-2,5-dimethylphenyl)methyl]oxane;4-[[2,5-dimethyl-3-(trifluoromethoxy)phenyl]methyl]morpholine;1-methyl-5-(3-methylphenyl)pyrazole is sourced from PubChem (CID 167559194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).