3-tert-butyl-2-methylpyridine;2-chloro-3-methylpyrazine;5-chloro-4-methylpyrimidine;2,3-dimethylpyridine;3-ethyl-2-methylpyridine;3-methoxy-2-methylpyridine;2-methyl-3-propan-2-ylpyridine;2-methyl-3-propoxypyridine;2-methylpyridine-3-carbonitrile;2-methylpyrimidine;2-methyl-3-(trifluoromethoxy)pyridine;2-methyl-3-(trifluoromethyl)pyridine

C86H104Cl2F6N16O3 — CID 160567220

IUPAC3-tert-butyl-2-methylpyridine;2-chloro-3-methylpyrazine;5-chloro-4-methylpyrimidine;2,3-dimethylpyridine;3-ethyl-2-methylpyridine;3-methoxy-2-methylpyridine;2-methyl-3-propan-2-ylpyridine;2-methyl-3-propoxypyridine;2-methylpyridine-3-carbonitrile;2-methylpyrimidine;2-methyl-3-(trifluoromethoxy)pyridine;2-methyl-3-(trifluoromethyl)pyridine
SMILESCCCOc1cccnc1C.CCc1cccnc1C.COc1cccnc1C.Cc1cccnc1C.Cc1ncccc1C#N.Cc1ncccc1C(C)(C)C.Cc1ncccc1C(C)C.Cc1ncccc1C(F)(F)F.Cc1ncccc1OC(F)(F)F.Cc1ncccn1.Cc1nccnc1Cl.Cc1ncncc1Cl
InChIInChI=1S/C10H15N.C9H13NO.C9H13N.C8H11N.C7H6F3NO.C7H6F3N.C7H6N2.C7H9NO.C7H9N.2C5H5ClN2.C5H6N2/c1-8-9(10(2,3)4)6-5-7-11-8;1-3-7-11-9-5-4-6-10-8(9)2;1-7(2)9-5-4-6-10-8(9)3;1-3-8-5-4-6-9-7(8)2;1-5-6(3-2-4-11-5)12-7(8,9)10;1-5-6(7(8,9)10)3-2-4-11-5;1-6-7(5-8)3-2-4-9-6;1-6-7(9-2)4-3-5-8-6;1-6-4-3-5-8-7(6)2;1-4-5(6)2-7-3-8-4;1-4-5(6)8-3-2-7-4;1-5-6-3-2-4-7-5/h5-7H,1-4H3;4-6H,3,7H2,1-2H3;4-7H,1-3H3;4-6H,3H2,1-2H3;2-4H,1H3;2-4H,1H3;2-4H,1H3;3-5H,1-2H3;3-5H,1-2H3;2*2-3H,1H3;2-4H,1H3
InChIKeyRABRWXDXMNOYLM-UHFFFAOYSA-N
MW1594.78 g/mol
LogP22.05
Rot. Bonds7

About 3-tert-butyl-2-methylpyridine;2-chloro-3-methylpyrazine;5-chloro-4-methylpyrimidine;2,3-dimethylpyridine;3-ethyl-2-methylpyridine;3-methoxy-2-methylpyridine;2-methyl-3-propan-2-ylpyridine;2-methyl-3-propoxypyridine;2-methylpyridine-3-carbonitrile;2-methylpyrimidine;2-methyl-3-(trifluoromethoxy)pyridine;2-methyl-3-(trifluoromethyl)pyridine

3-tert-butyl-2-methylpyridine;2-chloro-3-methylpyrazine;5-chloro-4-methylpyrimidine;2,3-dimethylpyridine;3-ethyl-2-methylpyridine;3-methoxy-2-methylpyridine;2-methyl-3-propan-2-ylpyridine;2-methyl-3-propoxypyridine;2-methylpyridine-3-carbonitrile;2-methylpyrimidine;2-methyl-3-(trifluoromethoxy)pyridine;2-methyl-3-(trifluoromethyl)pyridine (PubChem CID 160567220) has the molecular formula C86H104Cl2F6N16O3 and a molecular weight of 1594.78 g/mol. Its IUPAC name is 3-tert-butyl-2-methylpyridine;2-chloro-3-methylpyrazine;5-chloro-4-methylpyrimidine;2,3-dimethylpyridine;3-ethyl-2-methylpyridine;3-methoxy-2-methylpyridine;2-methyl-3-propan-2-ylpyridine;2-methyl-3-propoxypyridine;2-methylpyridine-3-carbonitrile;2-methylpyrimidine;2-methyl-3-(trifluoromethoxy)pyridine;2-methyl-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-tert-butyl-2-methylpyridine;2-chloro-3-methylpyrazine;5-chloro-4-methylpyrimidine;2,3-dimethylpyridine;3-ethyl-2-methylpyridine;3-methoxy-2-methylpyridine;2-methyl-3-propan-2-ylpyridine;2-methyl-3-propoxypyridine;2-methylpyridine-3-carbonitrile;2-methylpyrimidine;2-methyl-3-(trifluoromethoxy)pyridine;2-methyl-3-(trifluoromethyl)pyridine
PubChem CID160567220
Molecular FormulaC86H104Cl2F6N16O3
Molecular Weight1594.78 g/mol
Exact Mass1592.78
IUPAC Name3-tert-butyl-2-methylpyridine;2-chloro-3-methylpyrazine;5-chloro-4-methylpyrimidine;2,3-dimethylpyridine;3-ethyl-2-methylpyridine;3-methoxy-2-methylpyridine;2-methyl-3-propan-2-ylpyridine;2-methyl-3-propoxypyridine;2-methylpyridine-3-carbonitrile;2-methylpyrimidine;2-methyl-3-(trifluoromethoxy)pyridine;2-methyl-3-(trifluoromethyl)pyridine
SMILESCCCOc1cccnc1C.CCc1cccnc1C.COc1cccnc1C.Cc1cccnc1C.Cc1ncccc1C#N.Cc1ncccc1C(C)(C)C.Cc1ncccc1C(C)C.Cc1ncccc1C(F)(F)F.Cc1ncccc1OC(F)(F)F.Cc1ncccn1.Cc1nccnc1Cl.Cc1ncncc1Cl
InChIInChI=1S/C10H15N.C9H13NO.C9H13N.C8H11N.C7H6F3NO.C7H6F3N.C7H6N2.C7H9NO.C7H9N.2C5H5ClN2.C5H6N2/c1-8-9(10(2,3)4)6-5-7-11-8;1-3-7-11-9-5-4-6-10-8(9)2;1-7(2)9-5-4-6-10-8(9)3;1-3-8-5-4-6-9-7(8)2;1-5-6(3-2-4-11-5)12-7(8,9)10;1-5-6(7(8,9)10)3-2-4-11-5;1-6-7(5-8)3-2-4-9-6;1-6-7(9-2)4-3-5-8-6;1-6-4-3-5-8-7(6)2;1-4-5(6)2-7-3-8-4;1-4-5(6)8-3-2-7-4;1-5-6-3-2-4-7-5/h5-7H,1-4H3;4-6H,3,7H2,1-2H3;4-7H,1-3H3;4-6H,3H2,1-2H3;2-4H,1H3;2-4H,1H3;2-4H,1H3;3-5H,1-2H3;3-5H,1-2H3;2*2-3H,1H3;2-4H,1H3
InChIKeyRABRWXDXMNOYLM-UHFFFAOYSA-N
XLogP22.05
TPSA244.83 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds7
Heavy Atoms113
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001594.78
LogP ≤ 522.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 3-tert-butyl-2-methylpyridine;2-chloro-3-methylpyrazine;5-chloro-4-methylpyrimidine;2,3-dimethylpyridine;3-ethyl-2-methylpyridine;3-methoxy-2-methylpyridine;2-methyl-3-propan-2-ylpyridine;2-methyl-3-propoxypyridine;2-methylpyridine-3-carbonitrile;2-methylpyrimidine;2-methyl-3-(trifluoromethoxy)pyridine;2-methyl-3-(trifluoromethyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-methylpyridine;2-chloro-3-methylpyrazine;5-chloro-4-methylpyrimidine;2,3-dimethylpyridine;3-ethyl-2-methylpyridine;3-methoxy-2-methylpyridine;2-methyl-3-propan-2-ylpyridine;2-methyl-3-propoxypyridine;2-methylpyridine-3-carbonitrile;2-methylpyrimidine;2-methyl-3-(trifluoromethoxy)pyridine;2-methyl-3-(trifluoromethyl)pyridine?
The IUPAC name of 3-tert-butyl-2-methylpyridine;2-chloro-3-methylpyrazine;5-chloro-4-methylpyrimidine;2,3-dimethylpyridine;3-ethyl-2-methylpyridine;3-methoxy-2-methylpyridine;2-methyl-3-propan-2-ylpyridine;2-methyl-3-propoxypyridine;2-methylpyridine-3-carbonitrile;2-methylpyrimidine;2-methyl-3-(trifluoromethoxy)pyridine;2-methyl-3-(trifluoromethyl)pyridine (CID 160567220) is 3-tert-butyl-2-methylpyridine;2-chloro-3-methylpyrazine;5-chloro-4-methylpyrimidine;2,3-dimethylpyridine;3-ethyl-2-methylpyridine;3-methoxy-2-methylpyridine;2-methyl-3-propan-2-ylpyridine;2-methyl-3-propoxypyridine;2-methylpyridine-3-carbonitrile;2-methylpyrimidine;2-methyl-3-(trifluoromethoxy)pyridine;2-methyl-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-tert-butyl-2-methylpyridine;2-chloro-3-methylpyrazine;5-chloro-4-methylpyrimidine;2,3-dimethylpyridine;3-ethyl-2-methylpyridine;3-methoxy-2-methylpyridine;2-methyl-3-propan-2-ylpyridine;2-methyl-3-propoxypyridine;2-methylpyridine-3-carbonitrile;2-methylpyrimidine;2-methyl-3-(trifluoromethoxy)pyridine;2-methyl-3-(trifluoromethyl)pyridine?
The canonical SMILES for 3-tert-butyl-2-methylpyridine;2-chloro-3-methylpyrazine;5-chloro-4-methylpyrimidine;2,3-dimethylpyridine;3-ethyl-2-methylpyridine;3-methoxy-2-methylpyridine;2-methyl-3-propan-2-ylpyridine;2-methyl-3-propoxypyridine;2-methylpyridine-3-carbonitrile;2-methylpyrimidine;2-methyl-3-(trifluoromethoxy)pyridine;2-methyl-3-(trifluoromethyl)pyridine is CCCOc1cccnc1C.CCc1cccnc1C.COc1cccnc1C.Cc1cccnc1C.Cc1ncccc1C#N.Cc1ncccc1C(C)(C)C.Cc1ncccc1C(C)C.Cc1ncccc1C(F)(F)F.Cc1ncccc1OC(F)(F)F.Cc1ncccn1.Cc1nccnc1Cl.Cc1ncncc1Cl.
What is the InChIKey of 3-tert-butyl-2-methylpyridine;2-chloro-3-methylpyrazine;5-chloro-4-methylpyrimidine;2,3-dimethylpyridine;3-ethyl-2-methylpyridine;3-methoxy-2-methylpyridine;2-methyl-3-propan-2-ylpyridine;2-methyl-3-propoxypyridine;2-methylpyridine-3-carbonitrile;2-methylpyrimidine;2-methyl-3-(trifluoromethoxy)pyridine;2-methyl-3-(trifluoromethyl)pyridine?
The InChIKey is RABRWXDXMNOYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C9H13NO.C9H13N.C8H11N.C7H6F3NO.C7H6F3N.C7H6N2.C7H9NO.C7H9N.2C5H5ClN2.C5H6N2/c1-8-9(10(2,3)4)6-5-7-11-8;1-3-7-11-9-5-4-6-10-8(9)2;1-7(2)9-5-4-6-10-8(9)3;1-3-8-5-4-6-9-7(8)2;1-5-6(3-2-4-11-5)12-7(8,9)10;1-5-6(7(8,9)10)3-2-4-11-5;1-6-7(5-8)3-2-4-9-6;1-6-7(9-2)4-3-5-8-6;1-6-4-3-5-8-7(6)2;1-4-5(6)2-7-3-8-4;1-4-5(6)8-3-2-7-4;1-5-6-3-2-4-7-5/h5-7H,1-4H3;4-6H,3,7H2,1-2H3;4-7H,1-3H3;4-6H,3H2,1-2H3;2-4H,1H3;2-4H,1H3;2-4H,1H3;3-5H,1-2H3;3-5H,1-2H3;2*2-3H,1H3;2-4H,1H3.
What are the key properties of 3-tert-butyl-2-methylpyridine;2-chloro-3-methylpyrazine;5-chloro-4-methylpyrimidine;2,3-dimethylpyridine;3-ethyl-2-methylpyridine;3-methoxy-2-methylpyridine;2-methyl-3-propan-2-ylpyridine;2-methyl-3-propoxypyridine;2-methylpyridine-3-carbonitrile;2-methylpyrimidine;2-methyl-3-(trifluoromethoxy)pyridine;2-methyl-3-(trifluoromethyl)pyridine?
3-tert-butyl-2-methylpyridine;2-chloro-3-methylpyrazine;5-chloro-4-methylpyrimidine;2,3-dimethylpyridine;3-ethyl-2-methylpyridine;3-methoxy-2-methylpyridine;2-methyl-3-propan-2-ylpyridine;2-methyl-3-propoxypyridine;2-methylpyridine-3-carbonitrile;2-methylpyrimidine;2-methyl-3-(trifluoromethoxy)pyridine;2-methyl-3-(trifluoromethyl)pyridine has a molecular weight of 1594.78 g/mol, XLogP of 22.05, 7 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-methylpyridine;2-chloro-3-methylpyrazine;5-chloro-4-methylpyrimidine;2,3-dimethylpyridine;3-ethyl-2-methylpyridine;3-methoxy-2-methylpyridine;2-methyl-3-propan-2-ylpyridine;2-methyl-3-propoxypyridine;2-methylpyridine-3-carbonitrile;2-methylpyrimidine;2-methyl-3-(trifluoromethoxy)pyridine;2-methyl-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 160567220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).