3-chloro-2,5-dimethylpyridine;3-chloro-2,6-dimethylpyridine;bis(5-chloro-2,4-dimethylpyridine);1,4-dimethylpyrazole;bis(2,3-dimethylpyridine);bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;bis(1,5-dimethylpyridin-2-one);bis(2,5-dimethylpyrimidine);(2S)-1,2-dimethylpyrrolidine;bis(3-fluoro-2,5-dimethylpyridine);5-fluoro-2,4-dimethylpyridine;2,3,5-trimethylpyridine;1,2-xylene;1,3-xylene

C173H223Cl4F3N26O3 — CID 159218594

IUPAC3-chloro-2,5-dimethylpyridine;3-chloro-2,6-dimethylpyridine;bis(5-chloro-2,4-dimethylpyridine);1,4-dimethylpyrazole;bis(2,3-dimethylpyridine);bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;bis(1,5-dimethylpyridin-2-one);bis(2,5-dimethylpyrimidine);(2S)-1,2-dimethylpyrrolidine;bis(3-fluoro-2,5-dimethylpyridine);5-fluoro-2,4-dimethylpyridine;2,3,5-trimethylpyridine;1,2-xylene;1,3-xylene
SMILESC[C@H]1CCCN1C.Cc1cc(C)c(Cl)cn1.Cc1cc(C)c(Cl)cn1.Cc1cc(C)c(F)cn1.Cc1ccc(=O)n(C)c1.Cc1ccc(=O)n(C)c1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc(Cl)c(C)n1.Cc1cccc(C)c1.Cc1ccccc1C.Cc1cccnc1C.Cc1cccnc1C.Cc1ccn(C)c(=O)c1.Cc1ccnc(C)c1.Cc1ccnc(C)c1.Cc1ccncc1C.Cc1cnc(C)c(C)c1.Cc1cnc(C)c(Cl)c1.Cc1cnc(C)c(F)c1.Cc1cnc(C)c(F)c1.Cc1cnc(C)nc1.Cc1cnc(C)nc1.Cc1cncc(C)c1.Cc1cnn(C)c1
InChIInChI=1S/C8H11N.2C8H10.4C7H8ClN.3C7H8FN.3C7H9NO.8C7H9N.2C6H8N2.C6H13N.C5H8N2/c1-6-4-7(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*1-5-3-6(2)9-4-7(5)8;1-5-3-7(8)6(2)9-4-5;1-5-3-4-7(8)6(2)9-5;1-5-3-6(2)9-4-7(5)8;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;1-6-3-7(2)5-8-4-6;1-6-3-4-8-5-7(6)2;2*1-6-3-4-8-7(2)5-6;2*1-6-3-4-7(2)8-5-6;2*1-6-4-3-5-8-7(6)2;2*1-5-3-7-6(2)8-4-5;1-6-4-3-5-7(6)2;1-5-3-6-7(2)4-5/h4-5H,1-3H3;2*3-6H,1-2H3;7*3-4H,1-2H3;3*3-5H,1-2H3;8*3-5H,1-2H3;2*3-4H,1-2H3;6H,3-5H2,1-2H3;3-4H,1-2H3/t;;;;;;;;;;;;;;;;;;;;;;;6-;/m.......................0./s1
InChIKeyKRJYBOMZJWQULY-OFSBZMJUSA-N
MW2913.67 g/mol
LogP41.22
Rot. Bonds

About 3-chloro-2,5-dimethylpyridine;3-chloro-2,6-dimethylpyridine;bis(5-chloro-2,4-dimethylpyridine);1,4-dimethylpyrazole;bis(2,3-dimethylpyridine);bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;bis(1,5-dimethylpyridin-2-one);bis(2,5-dimethylpyrimidine);(2S)-1,2-dimethylpyrrolidine;bis(3-fluoro-2,5-dimethylpyridine);5-fluoro-2,4-dimethylpyridine;2,3,5-trimethylpyridine;1,2-xylene;1,3-xylene

3-chloro-2,5-dimethylpyridine;3-chloro-2,6-dimethylpyridine;bis(5-chloro-2,4-dimethylpyridine);1,4-dimethylpyrazole;bis(2,3-dimethylpyridine);bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;bis(1,5-dimethylpyridin-2-one);bis(2,5-dimethylpyrimidine);(2S)-1,2-dimethylpyrrolidine;bis(3-fluoro-2,5-dimethylpyridine);5-fluoro-2,4-dimethylpyridine;2,3,5-trimethylpyridine;1,2-xylene;1,3-xylene (PubChem CID 159218594) has the molecular formula C173H223Cl4F3N26O3 and a molecular weight of 2913.67 g/mol. Its IUPAC name is 3-chloro-2,5-dimethylpyridine;3-chloro-2,6-dimethylpyridine;bis(5-chloro-2,4-dimethylpyridine);1,4-dimethylpyrazole;bis(2,3-dimethylpyridine);bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;bis(1,5-dimethylpyridin-2-one);bis(2,5-dimethylpyrimidine);(2S)-1,2-dimethylpyrrolidine;bis(3-fluoro-2,5-dimethylpyridine);5-fluoro-2,4-dimethylpyridine;2,3,5-trimethylpyridine;1,2-xylene;1,3-xylene.

Molecular Properties

Compound Name3-chloro-2,5-dimethylpyridine;3-chloro-2,6-dimethylpyridine;bis(5-chloro-2,4-dimethylpyridine);1,4-dimethylpyrazole;bis(2,3-dimethylpyridine);bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;bis(1,5-dimethylpyridin-2-one);bis(2,5-dimethylpyrimidine);(2S)-1,2-dimethylpyrrolidine;bis(3-fluoro-2,5-dimethylpyridine);5-fluoro-2,4-dimethylpyridine;2,3,5-trimethylpyridine;1,2-xylene;1,3-xylene
PubChem CID159218594
Molecular FormulaC173H223Cl4F3N26O3
Molecular Weight2913.67 g/mol
Exact Mass2909.68
IUPAC Name3-chloro-2,5-dimethylpyridine;3-chloro-2,6-dimethylpyridine;bis(5-chloro-2,4-dimethylpyridine);1,4-dimethylpyrazole;bis(2,3-dimethylpyridine);bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;bis(1,5-dimethylpyridin-2-one);bis(2,5-dimethylpyrimidine);(2S)-1,2-dimethylpyrrolidine;bis(3-fluoro-2,5-dimethylpyridine);5-fluoro-2,4-dimethylpyridine;2,3,5-trimethylpyridine;1,2-xylene;1,3-xylene
SMILESC[C@H]1CCCN1C.Cc1cc(C)c(Cl)cn1.Cc1cc(C)c(Cl)cn1.Cc1cc(C)c(F)cn1.Cc1ccc(=O)n(C)c1.Cc1ccc(=O)n(C)c1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc(Cl)c(C)n1.Cc1cccc(C)c1.Cc1ccccc1C.Cc1cccnc1C.Cc1cccnc1C.Cc1ccn(C)c(=O)c1.Cc1ccnc(C)c1.Cc1ccnc(C)c1.Cc1ccncc1C.Cc1cnc(C)c(C)c1.Cc1cnc(C)c(Cl)c1.Cc1cnc(C)c(F)c1.Cc1cnc(C)c(F)c1.Cc1cnc(C)nc1.Cc1cnc(C)nc1.Cc1cncc(C)c1.Cc1cnn(C)c1
InChIInChI=1S/C8H11N.2C8H10.4C7H8ClN.3C7H8FN.3C7H9NO.8C7H9N.2C6H8N2.C6H13N.C5H8N2/c1-6-4-7(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*1-5-3-6(2)9-4-7(5)8;1-5-3-7(8)6(2)9-4-5;1-5-3-4-7(8)6(2)9-5;1-5-3-6(2)9-4-7(5)8;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;1-6-3-7(2)5-8-4-6;1-6-3-4-8-5-7(6)2;2*1-6-3-4-8-7(2)5-6;2*1-6-3-4-7(2)8-5-6;2*1-6-4-3-5-8-7(6)2;2*1-5-3-7-6(2)8-4-5;1-6-4-3-5-7(6)2;1-5-3-6-7(2)4-5/h4-5H,1-3H3;2*3-6H,1-2H3;7*3-4H,1-2H3;3*3-5H,1-2H3;8*3-5H,1-2H3;2*3-4H,1-2H3;6H,3-5H2,1-2H3;3-4H,1-2H3/t;;;;;;;;;;;;;;;;;;;;;;;6-;/m.......................0./s1
InChIKeyKRJYBOMZJWQULY-OFSBZMJUSA-N
XLogP41.22
TPSA344.86 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds
Heavy Atoms209
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002913.67
LogP ≤ 541.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze 3-chloro-2,5-dimethylpyridine;3-chloro-2,6-dimethylpyridine;bis(5-chloro-2,4-dimethylpyridine);1,4-dimethylpyrazole;bis(2,3-dimethylpyridine);bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;bis(1,5-dimethylpyridin-2-one);bis(2,5-dimethylpyrimidine);(2S)-1,2-dimethylpyrrolidine;bis(3-fluoro-2,5-dimethylpyridine);5-fluoro-2,4-dimethylpyridine;2,3,5-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-chloro-2,6-dimethylpyridine;bis(5-chloro-2,4-dimethylpyridine);1,4-dimethylpyrazole;bis(2,3-dimethylpyridine);bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;bis(1,5-dimethylpyridin-2-one);bis(2,5-dimethylpyrimidine);(2S)-1,2-dimethylpyrrolidine;bis(3-fluoro-2,5-dimethylpyridine);5-fluoro-2,4-dimethylpyridine;2,3,5-trimethylpyridine;1,2-xylene;1,3-xylene?
The IUPAC name of 3-chloro-2,5-dimethylpyridine;3-chloro-2,6-dimethylpyridine;bis(5-chloro-2,4-dimethylpyridine);1,4-dimethylpyrazole;bis(2,3-dimethylpyridine);bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;bis(1,5-dimethylpyridin-2-one);bis(2,5-dimethylpyrimidine);(2S)-1,2-dimethylpyrrolidine;bis(3-fluoro-2,5-dimethylpyridine);5-fluoro-2,4-dimethylpyridine;2,3,5-trimethylpyridine;1,2-xylene;1,3-xylene (CID 159218594) is 3-chloro-2,5-dimethylpyridine;3-chloro-2,6-dimethylpyridine;bis(5-chloro-2,4-dimethylpyridine);1,4-dimethylpyrazole;bis(2,3-dimethylpyridine);bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;bis(1,5-dimethylpyridin-2-one);bis(2,5-dimethylpyrimidine);(2S)-1,2-dimethylpyrrolidine;bis(3-fluoro-2,5-dimethylpyridine);5-fluoro-2,4-dimethylpyridine;2,3,5-trimethylpyridine;1,2-xylene;1,3-xylene.
What is the SMILES notation for 3-chloro-2,5-dimethylpyridine;3-chloro-2,6-dimethylpyridine;bis(5-chloro-2,4-dimethylpyridine);1,4-dimethylpyrazole;bis(2,3-dimethylpyridine);bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;bis(1,5-dimethylpyridin-2-one);bis(2,5-dimethylpyrimidine);(2S)-1,2-dimethylpyrrolidine;bis(3-fluoro-2,5-dimethylpyridine);5-fluoro-2,4-dimethylpyridine;2,3,5-trimethylpyridine;1,2-xylene;1,3-xylene?
The canonical SMILES for 3-chloro-2,5-dimethylpyridine;3-chloro-2,6-dimethylpyridine;bis(5-chloro-2,4-dimethylpyridine);1,4-dimethylpyrazole;bis(2,3-dimethylpyridine);bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;bis(1,5-dimethylpyridin-2-one);bis(2,5-dimethylpyrimidine);(2S)-1,2-dimethylpyrrolidine;bis(3-fluoro-2,5-dimethylpyridine);5-fluoro-2,4-dimethylpyridine;2,3,5-trimethylpyridine;1,2-xylene;1,3-xylene is C[C@H]1CCCN1C.Cc1cc(C)c(Cl)cn1.Cc1cc(C)c(Cl)cn1.Cc1cc(C)c(F)cn1.Cc1ccc(=O)n(C)c1.Cc1ccc(=O)n(C)c1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc(Cl)c(C)n1.Cc1cccc(C)c1.Cc1ccccc1C.Cc1cccnc1C.Cc1cccnc1C.Cc1ccn(C)c(=O)c1.Cc1ccnc(C)c1.Cc1ccnc(C)c1.Cc1ccncc1C.Cc1cnc(C)c(C)c1.Cc1cnc(C)c(Cl)c1.Cc1cnc(C)c(F)c1.Cc1cnc(C)c(F)c1.Cc1cnc(C)nc1.Cc1cnc(C)nc1.Cc1cncc(C)c1.Cc1cnn(C)c1.
What is the InChIKey of 3-chloro-2,5-dimethylpyridine;3-chloro-2,6-dimethylpyridine;bis(5-chloro-2,4-dimethylpyridine);1,4-dimethylpyrazole;bis(2,3-dimethylpyridine);bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;bis(1,5-dimethylpyridin-2-one);bis(2,5-dimethylpyrimidine);(2S)-1,2-dimethylpyrrolidine;bis(3-fluoro-2,5-dimethylpyridine);5-fluoro-2,4-dimethylpyridine;2,3,5-trimethylpyridine;1,2-xylene;1,3-xylene?
The InChIKey is KRJYBOMZJWQULY-OFSBZMJUSA-N. The full InChI is InChI=1S/C8H11N.2C8H10.4C7H8ClN.3C7H8FN.3C7H9NO.8C7H9N.2C6H8N2.C6H13N.C5H8N2/c1-6-4-7(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*1-5-3-6(2)9-4-7(5)8;1-5-3-7(8)6(2)9-4-5;1-5-3-4-7(8)6(2)9-5;1-5-3-6(2)9-4-7(5)8;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;1-6-3-7(2)5-8-4-6;1-6-3-4-8-5-7(6)2;2*1-6-3-4-8-7(2)5-6;2*1-6-3-4-7(2)8-5-6;2*1-6-4-3-5-8-7(6)2;2*1-5-3-7-6(2)8-4-5;1-6-4-3-5-7(6)2;1-5-3-6-7(2)4-5/h4-5H,1-3H3;2*3-6H,1-2H3;7*3-4H,1-2H3;3*3-5H,1-2H3;8*3-5H,1-2H3;2*3-4H,1-2H3;6H,3-5H2,1-2H3;3-4H,1-2H3/t;;;;;;;;;;;;;;;;;;;;;;;6-;/m.......................0./s1.
What are the key properties of 3-chloro-2,5-dimethylpyridine;3-chloro-2,6-dimethylpyridine;bis(5-chloro-2,4-dimethylpyridine);1,4-dimethylpyrazole;bis(2,3-dimethylpyridine);bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;bis(1,5-dimethylpyridin-2-one);bis(2,5-dimethylpyrimidine);(2S)-1,2-dimethylpyrrolidine;bis(3-fluoro-2,5-dimethylpyridine);5-fluoro-2,4-dimethylpyridine;2,3,5-trimethylpyridine;1,2-xylene;1,3-xylene?
3-chloro-2,5-dimethylpyridine;3-chloro-2,6-dimethylpyridine;bis(5-chloro-2,4-dimethylpyridine);1,4-dimethylpyrazole;bis(2,3-dimethylpyridine);bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;bis(1,5-dimethylpyridin-2-one);bis(2,5-dimethylpyrimidine);(2S)-1,2-dimethylpyrrolidine;bis(3-fluoro-2,5-dimethylpyridine);5-fluoro-2,4-dimethylpyridine;2,3,5-trimethylpyridine;1,2-xylene;1,3-xylene has a molecular weight of 2913.67 g/mol, XLogP of 41.22, 0 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,5-dimethylpyridine;3-chloro-2,6-dimethylpyridine;bis(5-chloro-2,4-dimethylpyridine);1,4-dimethylpyrazole;bis(2,3-dimethylpyridine);bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;bis(1,5-dimethylpyridin-2-one);bis(2,5-dimethylpyrimidine);(2S)-1,2-dimethylpyrrolidine;bis(3-fluoro-2,5-dimethylpyridine);5-fluoro-2,4-dimethylpyridine;2,3,5-trimethylpyridine;1,2-xylene;1,3-xylene is sourced from PubChem (CID 159218594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).