2-tert-butyl-3-chloro-5-methylpyridine;2-tert-butyl-5-cyclopropylpyrazine;bis(1-tert-butyl-3-fluoro-5-methylbenzene);4-tert-butyl-2-fluoro-1-methylbenzene;2-tert-butyl-3-fluoro-5-methylpyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;4-tert-butyl-1-methyl-2-(trifluoromethoxy)benzene;2-tert-butyl-5-(trifluoromethyl)pyridine;methane

C117H165ClF10N8O — CID 161297959

IUPAC2-tert-butyl-3-chloro-5-methylpyridine;2-tert-butyl-5-cyclopropylpyrazine;bis(1-tert-butyl-3-fluoro-5-methylbenzene);4-tert-butyl-2-fluoro-1-methylbenzene;2-tert-butyl-3-fluoro-5-methylpyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;4-tert-butyl-1-methyl-2-(trifluoromethoxy)benzene;2-tert-butyl-5-(trifluoromethyl)pyridine;methane
SMILESC.CC(C)(C)c1ccc(C(F)(F)F)cn1.CC(C)(C)c1cnc(C2CC2)cn1.Cc1cc(F)cc(C(C)(C)C)c1.Cc1cc(F)cc(C(C)(C)C)c1.Cc1ccc(C(C)(C)C)cc1F.Cc1ccc(C(C)(C)C)cc1OC(F)(F)F.Cc1cccc(C(C)(C)C)n1.Cc1cccnc1C(C)(C)C.Cc1ccnc(C(C)(C)C)c1.Cc1cnc(C(C)(C)C)c(Cl)c1.Cc1cnc(C(C)(C)C)c(F)c1
InChIInChI=1S/C12H15F3O.3C11H15F.C11H16N2.C10H14ClN.C10H12F3N.C10H14FN.3C10H15N.CH4/c1-8-5-6-9(11(2,3)4)7-10(8)16-12(13,14)15;2*1-8-5-9(11(2,3)4)7-10(12)6-8;1-8-5-6-9(7-10(8)12)11(2,3)4;1-11(2,3)10-7-12-9(6-13-10)8-4-5-8;1-7-5-8(11)9(12-6-7)10(2,3)4;1-9(2,3)8-5-4-7(6-14-8)10(11,12)13;1-7-5-8(11)9(12-6-7)10(2,3)4;1-8-5-6-11-9(7-8)10(2,3)4;1-8-6-5-7-11-9(8)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4;/h5-7H,1-4H3;3*5-7H,1-4H3;6-8H,4-5H2,1-3H3;5-6H,1-4H3;4-6H,1-3H3;5-6H,1-4H3;3*5-7H,1-4H3;1H4
InChIKeyVHFNAWSLFUAAIJ-UHFFFAOYSA-N
MW1925.09 g/mol
LogP35.40
Rot. Bonds2

About 2-tert-butyl-3-chloro-5-methylpyridine;2-tert-butyl-5-cyclopropylpyrazine;bis(1-tert-butyl-3-fluoro-5-methylbenzene);4-tert-butyl-2-fluoro-1-methylbenzene;2-tert-butyl-3-fluoro-5-methylpyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;4-tert-butyl-1-methyl-2-(trifluoromethoxy)benzene;2-tert-butyl-5-(trifluoromethyl)pyridine;methane

2-tert-butyl-3-chloro-5-methylpyridine;2-tert-butyl-5-cyclopropylpyrazine;bis(1-tert-butyl-3-fluoro-5-methylbenzene);4-tert-butyl-2-fluoro-1-methylbenzene;2-tert-butyl-3-fluoro-5-methylpyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;4-tert-butyl-1-methyl-2-(trifluoromethoxy)benzene;2-tert-butyl-5-(trifluoromethyl)pyridine;methane (PubChem CID 161297959) has the molecular formula C117H165ClF10N8O and a molecular weight of 1925.09 g/mol. Its IUPAC name is 2-tert-butyl-3-chloro-5-methylpyridine;2-tert-butyl-5-cyclopropylpyrazine;bis(1-tert-butyl-3-fluoro-5-methylbenzene);4-tert-butyl-2-fluoro-1-methylbenzene;2-tert-butyl-3-fluoro-5-methylpyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;4-tert-butyl-1-methyl-2-(trifluoromethoxy)benzene;2-tert-butyl-5-(trifluoromethyl)pyridine;methane.

Molecular Properties

Compound Name2-tert-butyl-3-chloro-5-methylpyridine;2-tert-butyl-5-cyclopropylpyrazine;bis(1-tert-butyl-3-fluoro-5-methylbenzene);4-tert-butyl-2-fluoro-1-methylbenzene;2-tert-butyl-3-fluoro-5-methylpyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;4-tert-butyl-1-methyl-2-(trifluoromethoxy)benzene;2-tert-butyl-5-(trifluoromethyl)pyridine;methane
PubChem CID161297959
Molecular FormulaC117H165ClF10N8O
Molecular Weight1925.09 g/mol
Exact Mass1923.26
IUPAC Name2-tert-butyl-3-chloro-5-methylpyridine;2-tert-butyl-5-cyclopropylpyrazine;bis(1-tert-butyl-3-fluoro-5-methylbenzene);4-tert-butyl-2-fluoro-1-methylbenzene;2-tert-butyl-3-fluoro-5-methylpyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;4-tert-butyl-1-methyl-2-(trifluoromethoxy)benzene;2-tert-butyl-5-(trifluoromethyl)pyridine;methane
SMILESC.CC(C)(C)c1ccc(C(F)(F)F)cn1.CC(C)(C)c1cnc(C2CC2)cn1.Cc1cc(F)cc(C(C)(C)C)c1.Cc1cc(F)cc(C(C)(C)C)c1.Cc1ccc(C(C)(C)C)cc1F.Cc1ccc(C(C)(C)C)cc1OC(F)(F)F.Cc1cccc(C(C)(C)C)n1.Cc1cccnc1C(C)(C)C.Cc1ccnc(C(C)(C)C)c1.Cc1cnc(C(C)(C)C)c(Cl)c1.Cc1cnc(C(C)(C)C)c(F)c1
InChIInChI=1S/C12H15F3O.3C11H15F.C11H16N2.C10H14ClN.C10H12F3N.C10H14FN.3C10H15N.CH4/c1-8-5-6-9(11(2,3)4)7-10(8)16-12(13,14)15;2*1-8-5-9(11(2,3)4)7-10(12)6-8;1-8-5-6-9(7-10(8)12)11(2,3)4;1-11(2,3)10-7-12-9(6-13-10)8-4-5-8;1-7-5-8(11)9(12-6-7)10(2,3)4;1-9(2,3)8-5-4-7(6-14-8)10(11,12)13;1-7-5-8(11)9(12-6-7)10(2,3)4;1-8-5-6-11-9(7-8)10(2,3)4;1-8-6-5-7-11-9(8)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4;/h5-7H,1-4H3;3*5-7H,1-4H3;6-8H,4-5H2,1-3H3;5-6H,1-4H3;4-6H,1-3H3;5-6H,1-4H3;3*5-7H,1-4H3;1H4
InChIKeyVHFNAWSLFUAAIJ-UHFFFAOYSA-N
XLogP35.40
TPSA112.35 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms137
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001925.09
LogP ≤ 535.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-tert-butyl-3-chloro-5-methylpyridine;2-tert-butyl-5-cyclopropylpyrazine;bis(1-tert-butyl-3-fluoro-5-methylbenzene);4-tert-butyl-2-fluoro-1-methylbenzene;2-tert-butyl-3-fluoro-5-methylpyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;4-tert-butyl-1-methyl-2-(trifluoromethoxy)benzene;2-tert-butyl-5-(trifluoromethyl)pyridine;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-chloro-5-methylpyridine;2-tert-butyl-5-cyclopropylpyrazine;bis(1-tert-butyl-3-fluoro-5-methylbenzene);4-tert-butyl-2-fluoro-1-methylbenzene;2-tert-butyl-3-fluoro-5-methylpyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;4-tert-butyl-1-methyl-2-(trifluoromethoxy)benzene;2-tert-butyl-5-(trifluoromethyl)pyridine;methane?
The IUPAC name of 2-tert-butyl-3-chloro-5-methylpyridine;2-tert-butyl-5-cyclopropylpyrazine;bis(1-tert-butyl-3-fluoro-5-methylbenzene);4-tert-butyl-2-fluoro-1-methylbenzene;2-tert-butyl-3-fluoro-5-methylpyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;4-tert-butyl-1-methyl-2-(trifluoromethoxy)benzene;2-tert-butyl-5-(trifluoromethyl)pyridine;methane (CID 161297959) is 2-tert-butyl-3-chloro-5-methylpyridine;2-tert-butyl-5-cyclopropylpyrazine;bis(1-tert-butyl-3-fluoro-5-methylbenzene);4-tert-butyl-2-fluoro-1-methylbenzene;2-tert-butyl-3-fluoro-5-methylpyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;4-tert-butyl-1-methyl-2-(trifluoromethoxy)benzene;2-tert-butyl-5-(trifluoromethyl)pyridine;methane.
What is the SMILES notation for 2-tert-butyl-3-chloro-5-methylpyridine;2-tert-butyl-5-cyclopropylpyrazine;bis(1-tert-butyl-3-fluoro-5-methylbenzene);4-tert-butyl-2-fluoro-1-methylbenzene;2-tert-butyl-3-fluoro-5-methylpyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;4-tert-butyl-1-methyl-2-(trifluoromethoxy)benzene;2-tert-butyl-5-(trifluoromethyl)pyridine;methane?
The canonical SMILES for 2-tert-butyl-3-chloro-5-methylpyridine;2-tert-butyl-5-cyclopropylpyrazine;bis(1-tert-butyl-3-fluoro-5-methylbenzene);4-tert-butyl-2-fluoro-1-methylbenzene;2-tert-butyl-3-fluoro-5-methylpyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;4-tert-butyl-1-methyl-2-(trifluoromethoxy)benzene;2-tert-butyl-5-(trifluoromethyl)pyridine;methane is C.CC(C)(C)c1ccc(C(F)(F)F)cn1.CC(C)(C)c1cnc(C2CC2)cn1.Cc1cc(F)cc(C(C)(C)C)c1.Cc1cc(F)cc(C(C)(C)C)c1.Cc1ccc(C(C)(C)C)cc1F.Cc1ccc(C(C)(C)C)cc1OC(F)(F)F.Cc1cccc(C(C)(C)C)n1.Cc1cccnc1C(C)(C)C.Cc1ccnc(C(C)(C)C)c1.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-5-cyclopropylpyrazine;bis(1-tert-butyl-3-fluoro-5-methylbenzene);4-tert-butyl-2-fluoro-1-methylbenzene;2-tert-butyl-3-fluoro-5-methylpyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;4-tert-butyl-1-methyl-2-(trifluoromethoxy)benzene;2-tert-butyl-5-(trifluoromethyl)pyridine;methane?
The InChIKey is VHFNAWSLFUAAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O.3C11H15F.C11H16N2.C10H14ClN.C10H12F3N.C10H14FN.3C10H15N.CH4/c1-8-5-6-9(11(2,3)4)7-10(8)16-12(13,14)15;2*1-8-5-9(11(2,3)4)7-10(12)6-8;1-8-5-6-9(7-10(8)12)11(2,3)4;1-11(2,3)10-7-12-9(6-13-10)8-4-5-8;1-7-5-8(11)9(12-6-7)10(2,3)4;1-9(2,3)8-5-4-7(6-14-8)10(11,12)13;1-7-5-8(11)9(12-6-7)10(2,3)4;1-8-5-6-11-9(7-8)10(2,3)4;1-8-6-5-7-11-9(8)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4;/h5-7H,1-4H3;3*5-7H,1-4H3;6-8H,4-5H2,1-3H3;5-6H,1-4H3;4-6H,1-3H3;5-6H,1-4H3;3*5-7H,1-4H3;1H4.
What are the key properties of 2-tert-butyl-3-chloro-5-methylpyridine;2-tert-butyl-5-cyclopropylpyrazine;bis(1-tert-butyl-3-fluoro-5-methylbenzene);4-tert-butyl-2-fluoro-1-methylbenzene;2-tert-butyl-3-fluoro-5-methylpyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;4-tert-butyl-1-methyl-2-(trifluoromethoxy)benzene;2-tert-butyl-5-(trifluoromethyl)pyridine;methane?
2-tert-butyl-3-chloro-5-methylpyridine;2-tert-butyl-5-cyclopropylpyrazine;bis(1-tert-butyl-3-fluoro-5-methylbenzene);4-tert-butyl-2-fluoro-1-methylbenzene;2-tert-butyl-3-fluoro-5-methylpyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;4-tert-butyl-1-methyl-2-(trifluoromethoxy)benzene;2-tert-butyl-5-(trifluoromethyl)pyridine;methane has a molecular weight of 1925.09 g/mol, XLogP of 35.40, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-chloro-5-methylpyridine;2-tert-butyl-5-cyclopropylpyrazine;bis(1-tert-butyl-3-fluoro-5-methylbenzene);4-tert-butyl-2-fluoro-1-methylbenzene;2-tert-butyl-3-fluoro-5-methylpyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;4-tert-butyl-1-methyl-2-(trifluoromethoxy)benzene;2-tert-butyl-5-(trifluoromethyl)pyridine;methane is sourced from PubChem (CID 161297959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).