3-chloro-2,5-dimethylpyridine;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;bis(1,4-dimethylpyrazole);4,5-dimethyl-1H-pyrazole;2,3-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;bis(3,5-dimethylpyridine);1,4-dimethylpyridin-2-one;1,5-dimethylpyridin-2-one;2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;4,5-dimethyl-1,2-thiazole;3-fluoro-2,5-dimethylpyridine;methane;bis(2,3,5-trimethylpyridine);bis(2,4,5-trimethylpyridine);1,2-xylene;1,3-xylene

C163H234ClFN26O5S — CID 159456044

IUPAC3-chloro-2,5-dimethylpyridine;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;bis(1,4-dimethylpyrazole);4,5-dimethyl-1H-pyrazole;2,3-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;bis(3,5-dimethylpyridine);1,4-dimethylpyridin-2-one;1,5-dimethylpyridin-2-one;2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;4,5-dimethyl-1,2-thiazole;3-fluoro-2,5-dimethylpyridine;methane;bis(2,3,5-trimethylpyridine);bis(2,4,5-trimethylpyridine);1,2-xylene;1,3-xylene
SMILESC.C.C.C[C@@H]1CCC(=O)N(C)C1.C[C@H]1CCCN1C.Cc1cc(C)c(C)cn1.Cc1cc(C)c(C)cn1.Cc1cc(C)on1.Cc1ccc(=O)n(C)c1.Cc1ccc(C)nc1.Cc1cccc(C)c1.Cc1ccccc1C.Cc1cccnc1C.Cc1ccn(C)c(=O)c1.Cc1ccncc1C.Cc1cn[nH]c1C.Cc1cnc(C)c(C)c1.Cc1cnc(C)c(C)c1.Cc1cnc(C)c(Cl)c1.Cc1cnc(C)c(F)c1.Cc1cnc(C)nc1.Cc1cncc(C)c1.Cc1cncc(C)c1.Cc1cnn(C)c1.Cc1cnn(C)c1.Cc1cnoc1C.Cc1cnsc1C
InChIInChI=1S/4C8H11N.2C8H10.C7H8ClN.C7H8FN.C7H9NO.C7H13NO.C7H9NO.5C7H9N.C6H8N2.C6H13N.3C5H8N2.2C5H7NO.C5H7NS.3CH4/c2*1-6-4-8(3)9-5-7(6)2;2*1-6-4-7(2)8(3)9-5-6;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;2*1-5-3-7(8)6(2)9-4-5;1-6-3-4-8(2)7(9)5-6;2*1-6-3-4-7(9)8(2)5-6;2*1-6-3-7(2)5-8-4-6;1-6-3-4-8-5-7(6)2;1-6-3-4-7(2)8-5-6;1-6-4-3-5-8-7(6)2;1-5-3-7-6(2)8-4-5;1-6-4-3-5-7(6)2;2*1-5-3-6-7(2)4-5;2*1-4-3-6-7-5(4)2;1-4-3-5(2)7-6-4;1-4-3-6-7-5(4)2;;;/h4*4-5H,1-3H3;2*3-6H,1-2H3;2*3-4H,1-2H3;3-5H,1-2H3;6H,3-5H2,1-2H3;3-5H,1-2H3;5*3-5H,1-2H3;3-4H,1-2H3;6H,3-5H2,1-2H3;2*3-4H,1-2H3;3H,1-2H3,(H,6,7);3*3H,1-2H3;3*1H4/t;;;;;;;;;6-;;;;;;;;6-;;;;;;;;;/m.........1.......0........./s1
InChIKeyLTZFMBYPFFSDHJ-BWSXYNNVSA-N
MW2724.36 g/mol
LogP38.51
Rot. Bonds

About 3-chloro-2,5-dimethylpyridine;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;bis(1,4-dimethylpyrazole);4,5-dimethyl-1H-pyrazole;2,3-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;bis(3,5-dimethylpyridine);1,4-dimethylpyridin-2-one;1,5-dimethylpyridin-2-one;2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;4,5-dimethyl-1,2-thiazole;3-fluoro-2,5-dimethylpyridine;methane;bis(2,3,5-trimethylpyridine);bis(2,4,5-trimethylpyridine);1,2-xylene;1,3-xylene

3-chloro-2,5-dimethylpyridine;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;bis(1,4-dimethylpyrazole);4,5-dimethyl-1H-pyrazole;2,3-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;bis(3,5-dimethylpyridine);1,4-dimethylpyridin-2-one;1,5-dimethylpyridin-2-one;2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;4,5-dimethyl-1,2-thiazole;3-fluoro-2,5-dimethylpyridine;methane;bis(2,3,5-trimethylpyridine);bis(2,4,5-trimethylpyridine);1,2-xylene;1,3-xylene (PubChem CID 159456044) has the molecular formula C163H234ClFN26O5S and a molecular weight of 2724.36 g/mol. Its IUPAC name is 3-chloro-2,5-dimethylpyridine;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;bis(1,4-dimethylpyrazole);4,5-dimethyl-1H-pyrazole;2,3-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;bis(3,5-dimethylpyridine);1,4-dimethylpyridin-2-one;1,5-dimethylpyridin-2-one;2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;4,5-dimethyl-1,2-thiazole;3-fluoro-2,5-dimethylpyridine;methane;bis(2,3,5-trimethylpyridine);bis(2,4,5-trimethylpyridine);1,2-xylene;1,3-xylene.

Molecular Properties

Compound Name3-chloro-2,5-dimethylpyridine;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;bis(1,4-dimethylpyrazole);4,5-dimethyl-1H-pyrazole;2,3-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;bis(3,5-dimethylpyridine);1,4-dimethylpyridin-2-one;1,5-dimethylpyridin-2-one;2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;4,5-dimethyl-1,2-thiazole;3-fluoro-2,5-dimethylpyridine;methane;bis(2,3,5-trimethylpyridine);bis(2,4,5-trimethylpyridine);1,2-xylene;1,3-xylene
PubChem CID159456044
Molecular FormulaC163H234ClFN26O5S
Molecular Weight2724.36 g/mol
Exact Mass2721.82
IUPAC Name3-chloro-2,5-dimethylpyridine;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;bis(1,4-dimethylpyrazole);4,5-dimethyl-1H-pyrazole;2,3-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;bis(3,5-dimethylpyridine);1,4-dimethylpyridin-2-one;1,5-dimethylpyridin-2-one;2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;4,5-dimethyl-1,2-thiazole;3-fluoro-2,5-dimethylpyridine;methane;bis(2,3,5-trimethylpyridine);bis(2,4,5-trimethylpyridine);1,2-xylene;1,3-xylene
SMILESC.C.C.C[C@@H]1CCC(=O)N(C)C1.C[C@H]1CCCN1C.Cc1cc(C)c(C)cn1.Cc1cc(C)c(C)cn1.Cc1cc(C)on1.Cc1ccc(=O)n(C)c1.Cc1ccc(C)nc1.Cc1cccc(C)c1.Cc1ccccc1C.Cc1cccnc1C.Cc1ccn(C)c(=O)c1.Cc1ccncc1C.Cc1cn[nH]c1C.Cc1cnc(C)c(C)c1.Cc1cnc(C)c(C)c1.Cc1cnc(C)c(Cl)c1.Cc1cnc(C)c(F)c1.Cc1cnc(C)nc1.Cc1cncc(C)c1.Cc1cncc(C)c1.Cc1cnn(C)c1.Cc1cnn(C)c1.Cc1cnoc1C.Cc1cnsc1C
InChIInChI=1S/4C8H11N.2C8H10.C7H8ClN.C7H8FN.C7H9NO.C7H13NO.C7H9NO.5C7H9N.C6H8N2.C6H13N.3C5H8N2.2C5H7NO.C5H7NS.3CH4/c2*1-6-4-8(3)9-5-7(6)2;2*1-6-4-7(2)8(3)9-5-6;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;2*1-5-3-7(8)6(2)9-4-5;1-6-3-4-8(2)7(9)5-6;2*1-6-3-4-7(9)8(2)5-6;2*1-6-3-7(2)5-8-4-6;1-6-3-4-8-5-7(6)2;1-6-3-4-7(2)8-5-6;1-6-4-3-5-8-7(6)2;1-5-3-7-6(2)8-4-5;1-6-4-3-5-7(6)2;2*1-5-3-6-7(2)4-5;2*1-4-3-6-7-5(4)2;1-4-3-5(2)7-6-4;1-4-3-6-7-5(4)2;;;/h4*4-5H,1-3H3;2*3-6H,1-2H3;2*3-4H,1-2H3;3-5H,1-2H3;6H,3-5H2,1-2H3;3-5H,1-2H3;5*3-5H,1-2H3;3-4H,1-2H3;6H,3-5H2,1-2H3;2*3-4H,1-2H3;3H,1-2H3,(H,6,7);3*3H,1-2H3;3*1H4/t;;;;;;;;;6-;;;;;;;;6-;;;;;;;;;/m.........1.......0........./s1
InChIKeyLTZFMBYPFFSDHJ-BWSXYNNVSA-N
XLogP38.51
TPSA364.39 Ų
H-Bond Donors1
H-Bond Acceptors30
Rotatable Bonds
Heavy Atoms197
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002724.36
LogP ≤ 538.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1030

Analyze 3-chloro-2,5-dimethylpyridine;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;bis(1,4-dimethylpyrazole);4,5-dimethyl-1H-pyrazole;2,3-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;bis(3,5-dimethylpyridine);1,4-dimethylpyridin-2-one;1,5-dimethylpyridin-2-one;2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;4,5-dimethyl-1,2-thiazole;3-fluoro-2,5-dimethylpyridine;methane;bis(2,3,5-trimethylpyridine);bis(2,4,5-trimethylpyridine);1,2-xylene;1,3-xylene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,5-dimethylpyridine;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;bis(1,4-dimethylpyrazole);4,5-dimethyl-1H-pyrazole;2,3-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;bis(3,5-dimethylpyridine);1,4-dimethylpyridin-2-one;1,5-dimethylpyridin-2-one;2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;4,5-dimethyl-1,2-thiazole;3-fluoro-2,5-dimethylpyridine;methane;bis(2,3,5-trimethylpyridine);bis(2,4,5-trimethylpyridine);1,2-xylene;1,3-xylene?
The IUPAC name of 3-chloro-2,5-dimethylpyridine;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;bis(1,4-dimethylpyrazole);4,5-dimethyl-1H-pyrazole;2,3-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;bis(3,5-dimethylpyridine);1,4-dimethylpyridin-2-one;1,5-dimethylpyridin-2-one;2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;4,5-dimethyl-1,2-thiazole;3-fluoro-2,5-dimethylpyridine;methane;bis(2,3,5-trimethylpyridine);bis(2,4,5-trimethylpyridine);1,2-xylene;1,3-xylene (CID 159456044) is 3-chloro-2,5-dimethylpyridine;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;bis(1,4-dimethylpyrazole);4,5-dimethyl-1H-pyrazole;2,3-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;bis(3,5-dimethylpyridine);1,4-dimethylpyridin-2-one;1,5-dimethylpyridin-2-one;2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;4,5-dimethyl-1,2-thiazole;3-fluoro-2,5-dimethylpyridine;methane;bis(2,3,5-trimethylpyridine);bis(2,4,5-trimethylpyridine);1,2-xylene;1,3-xylene.
What is the SMILES notation for 3-chloro-2,5-dimethylpyridine;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;bis(1,4-dimethylpyrazole);4,5-dimethyl-1H-pyrazole;2,3-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;bis(3,5-dimethylpyridine);1,4-dimethylpyridin-2-one;1,5-dimethylpyridin-2-one;2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;4,5-dimethyl-1,2-thiazole;3-fluoro-2,5-dimethylpyridine;methane;bis(2,3,5-trimethylpyridine);bis(2,4,5-trimethylpyridine);1,2-xylene;1,3-xylene?
The canonical SMILES for 3-chloro-2,5-dimethylpyridine;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;bis(1,4-dimethylpyrazole);4,5-dimethyl-1H-pyrazole;2,3-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;bis(3,5-dimethylpyridine);1,4-dimethylpyridin-2-one;1,5-dimethylpyridin-2-one;2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;4,5-dimethyl-1,2-thiazole;3-fluoro-2,5-dimethylpyridine;methane;bis(2,3,5-trimethylpyridine);bis(2,4,5-trimethylpyridine);1,2-xylene;1,3-xylene is C.C.C.C[C@@H]1CCC(=O)N(C)C1.C[C@H]1CCCN1C.Cc1cc(C)c(C)cn1.Cc1cc(C)c(C)cn1.Cc1cc(C)on1.Cc1ccc(=O)n(C)c1.Cc1ccc(C)nc1.Cc1cccc(C)c1.Cc1ccccc1C.Cc1cccnc1C.Cc1ccn(C)c(=O)c1.Cc1ccncc1C.Cc1cn[nH]c1C.Cc1cnc(C)c(C)c1.Cc1cnc(C)c(C)c1.Cc1cnc(C)c(Cl)c1.Cc1cnc(C)c(F)c1.Cc1cnc(C)nc1.Cc1cncc(C)c1.Cc1cncc(C)c1.Cc1cnn(C)c1.Cc1cnn(C)c1.Cc1cnoc1C.Cc1cnsc1C.
What is the InChIKey of 3-chloro-2,5-dimethylpyridine;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;bis(1,4-dimethylpyrazole);4,5-dimethyl-1H-pyrazole;2,3-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;bis(3,5-dimethylpyridine);1,4-dimethylpyridin-2-one;1,5-dimethylpyridin-2-one;2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;4,5-dimethyl-1,2-thiazole;3-fluoro-2,5-dimethylpyridine;methane;bis(2,3,5-trimethylpyridine);bis(2,4,5-trimethylpyridine);1,2-xylene;1,3-xylene?
The InChIKey is LTZFMBYPFFSDHJ-BWSXYNNVSA-N. The full InChI is InChI=1S/4C8H11N.2C8H10.C7H8ClN.C7H8FN.C7H9NO.C7H13NO.C7H9NO.5C7H9N.C6H8N2.C6H13N.3C5H8N2.2C5H7NO.C5H7NS.3CH4/c2*1-6-4-8(3)9-5-7(6)2;2*1-6-4-7(2)8(3)9-5-6;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;2*1-5-3-7(8)6(2)9-4-5;1-6-3-4-8(2)7(9)5-6;2*1-6-3-4-7(9)8(2)5-6;2*1-6-3-7(2)5-8-4-6;1-6-3-4-8-5-7(6)2;1-6-3-4-7(2)8-5-6;1-6-4-3-5-8-7(6)2;1-5-3-7-6(2)8-4-5;1-6-4-3-5-7(6)2;2*1-5-3-6-7(2)4-5;2*1-4-3-6-7-5(4)2;1-4-3-5(2)7-6-4;1-4-3-6-7-5(4)2;;;/h4*4-5H,1-3H3;2*3-6H,1-2H3;2*3-4H,1-2H3;3-5H,1-2H3;6H,3-5H2,1-2H3;3-5H,1-2H3;5*3-5H,1-2H3;3-4H,1-2H3;6H,3-5H2,1-2H3;2*3-4H,1-2H3;3H,1-2H3,(H,6,7);3*3H,1-2H3;3*1H4/t;;;;;;;;;6-;;;;;;;;6-;;;;;;;;;/m.........1.......0........./s1.
What are the key properties of 3-chloro-2,5-dimethylpyridine;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;bis(1,4-dimethylpyrazole);4,5-dimethyl-1H-pyrazole;2,3-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;bis(3,5-dimethylpyridine);1,4-dimethylpyridin-2-one;1,5-dimethylpyridin-2-one;2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;4,5-dimethyl-1,2-thiazole;3-fluoro-2,5-dimethylpyridine;methane;bis(2,3,5-trimethylpyridine);bis(2,4,5-trimethylpyridine);1,2-xylene;1,3-xylene?
3-chloro-2,5-dimethylpyridine;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;bis(1,4-dimethylpyrazole);4,5-dimethyl-1H-pyrazole;2,3-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;bis(3,5-dimethylpyridine);1,4-dimethylpyridin-2-one;1,5-dimethylpyridin-2-one;2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;4,5-dimethyl-1,2-thiazole;3-fluoro-2,5-dimethylpyridine;methane;bis(2,3,5-trimethylpyridine);bis(2,4,5-trimethylpyridine);1,2-xylene;1,3-xylene has a molecular weight of 2724.36 g/mol, XLogP of 38.51, 0 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,5-dimethylpyridine;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;bis(1,4-dimethylpyrazole);4,5-dimethyl-1H-pyrazole;2,3-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;bis(3,5-dimethylpyridine);1,4-dimethylpyridin-2-one;1,5-dimethylpyridin-2-one;2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;4,5-dimethyl-1,2-thiazole;3-fluoro-2,5-dimethylpyridine;methane;bis(2,3,5-trimethylpyridine);bis(2,4,5-trimethylpyridine);1,2-xylene;1,3-xylene is sourced from PubChem (CID 159456044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).