2-chloro-4-methylpyridine;4,5-dimethyl-1H-pyrazole;2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);2-methoxy-4-methylthiophene;5-methyl-2,3-dihydro-1-benzofuran;1-methylimidazole;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);1,3,4-trimethyl-5-(trifluoromethyl)pyrazole

C159H217ClF21N41O3S3 — CID 158394229

About 2-chloro-4-methylpyridine;4,5-dimethyl-1H-pyrazole;2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);2-methoxy-4-methylthiophene;5-methyl-2,3-dihydro-1-benzofuran;1-methylimidazole;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);1,3,4-trimethyl-5-(trifluoromethyl)pyrazole

2-chloro-4-methylpyridine;4,5-dimethyl-1H-pyrazole;2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);2-methoxy-4-methylthiophene;5-methyl-2,3-dihydro-1-benzofuran;1-methylimidazole;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);1,3,4-trimethyl-5-(trifluoromethyl)pyrazole (PubChem CID 158394229) has the molecular formula C159H217ClF21N41O3S3 and a molecular weight of 3281.38 g/mol. Its IUPAC name is 2-chloro-4-methylpyridine;4,5-dimethyl-1H-pyrazole;2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);2-methoxy-4-methylthiophene;5-methyl-2,3-dihydro-1-benzofuran;1-methylimidazole;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);1,3,4-trimethyl-5-(trifluoromethyl)pyrazole.

Molecular Properties

• Compound Name: 2-chloro-4-methylpyridine;4,5-dimethyl-1H-pyrazole;2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);2-methoxy-4-methylthiophene;5-methyl-2,3-dihydro-1-benzofuran;1-methylimidazole;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);1,3,4-trimethyl-5-(trifluoromethyl)pyrazole
• PubChem CID: 158394229
• Molecular Formula: C159H217ClF21N41O3S3
• Molecular Weight: 3281.38 g/mol
• Exact Mass: 3278.66
• IUPAC Name: 2-chloro-4-methylpyridine;4,5-dimethyl-1H-pyrazole;2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);2-methoxy-4-methylthiophene;5-methyl-2,3-dihydro-1-benzofuran;1-methylimidazole;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);1,3,4-trimethyl-5-(trifluoromethyl)pyrazole
• SMILES: COc1cc(C)cs1.Cc1[nH]nc(C(F)(F)F)c1C.Cc1[nH]nc(C(F)(F)F)c1C.Cc1ccc(C)s1.Cc1ccc(N2CCCCC2)nc1.Cc1ccc(N2CCOCC2)nc1.Cc1ccc2c(c1)CCO2.Cc1cccnc1.Cc1ccnc(Cl)c1.Cc1cn(C)nc1C.Cc1cn(C)nc1C(F)(F)F.Cc1cn[nH]c1C.Cc1cn[nH]c1C(F)(F)F.Cc1cn[nH]c1C(F)(F)F.Cc1cnc(C)nc1.Cc1cnc(N)nc1.Cc1cnn(C)c1C.Cc1cnn(C)c1C(F)(F)F.Cc1csc(C)c1.Cc1n[nH]c(C)c1C.Cc1n[nH]c(C)c1C.Cc1nn(C)c(C(F)(F)F)c1C.Cc1nn(C)c(C)c1C.Cc1nn(C)c(C)c1C.Cn1ccnc1
• InChI: InChI=1S/C11H16N2.C10H14N2O.C9H10O.C7H9F3N2.2C7H12N2.C6H6ClN.4C6H7F3N2.2C6H10N2.C6H8N2.2C6H10N2.C6H7N.C6H8OS.2C6H8S.2C5H5F3N2.C5H7N3.C5H8N2.C4H6N2/c1-10-5-6-11(12-9-10)13-7-3-2-4-8-13;1-9-2-3-10(11-8-9)12-4-6-13-7-5-12;1-7-2-3-9-8(6-7)4-5-10-9;1-4-5(2)11-12(3)6(4)7(8,9)10;2*1-5-6(2)8-9(4)7(5)3;1-5-2-3-8-6(7)4-5;1-4-3-11(2)10-5(4)6(7,8)9;1-4-3-10-11(2)5(4)6(7,8)9;2*1-3-4(2)10-11-5(3)6(7,8)9;1-5-4-8(3)7-6(5)2;1-5-4-7-8(3)6(5)2;1-5-3-7-6(2)8-4-5;2*1-4-5(2)7-8-6(4)3;1-6-3-2-4-7-5-6;1-5-3-6(7-2)8-4-5;1-5-3-6(2)7-4-5;1-5-3-4-6(2)7-5;2*1-3-2-9-10-4(3)5(6,7)8;1-4-2-7-5(6)8-3-4;1-4-3-6-7-5(4)2;1-6-3-2-5-4-6/h5-6,9H,2-4,7-8H2,1H3;2-3,8H,4-7H2,1H3;2-3,6H,4-5H2,1H3;1-3H3;2*1-4H3;2-4H,1H3;2*3H,1-2H3;2*1-2H3,(H,10,11);2*4H,1-3H3;3-4H,1-2H3;2*1-3H3,(H,7,8);2-5H,1H3;3-4H,1-2H3;2*3-4H,1-2H3;2*2H,1H3,(H,9,10);2-3H,1H3,(H2,6,7,8);3H,1-2H3,(H,6,7);2-4H,1H3
• InChIKey: GXIQJEPDWGBGFR-UHFFFAOYSA-N
• XLogP: 39.22
• TPSA: 506.63 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 40
• Rotatable Bonds: 3
• Heavy Atoms: 228
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3281.38
LogP ≤ 5	39.22
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methylpyridine;4,5-dimethyl-1H-pyrazole;2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);2-methoxy-4-methylthiophene;5-methyl-2,3-dihydro-1-benzofuran;1-methylimidazole;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);1,3,4-trimethyl-5-(trifluoromethyl)pyrazole?

The IUPAC name of 2-chloro-4-methylpyridine;4,5-dimethyl-1H-pyrazole;2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);2-methoxy-4-methylthiophene;5-methyl-2,3-dihydro-1-benzofuran;1-methylimidazole;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);1,3,4-trimethyl-5-(trifluoromethyl)pyrazole (CID 158394229) is 2-chloro-4-methylpyridine;4,5-dimethyl-1H-pyrazole;2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);2-methoxy-4-methylthiophene;5-methyl-2,3-dihydro-1-benzofuran;1-methylimidazole;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);1,3,4-trimethyl-5-(trifluoromethyl)pyrazole.

What is the SMILES notation for 2-chloro-4-methylpyridine;4,5-dimethyl-1H-pyrazole;2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);2-methoxy-4-methylthiophene;5-methyl-2,3-dihydro-1-benzofuran;1-methylimidazole;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);1,3,4-trimethyl-5-(trifluoromethyl)pyrazole?

The canonical SMILES for 2-chloro-4-methylpyridine;4,5-dimethyl-1H-pyrazole;2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);2-methoxy-4-methylthiophene;5-methyl-2,3-dihydro-1-benzofuran;1-methylimidazole;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);1,3,4-trimethyl-5-(trifluoromethyl)pyrazole is COc1cc(C)cs1.Cc1[nH]nc(C(F)(F)F)c1C.Cc1[nH]nc(C(F)(F)F)c1C.Cc1ccc(C)s1.Cc1ccc(N2CCCCC2)nc1.Cc1ccc(N2CCOCC2)nc1.Cc1ccc2c(c1)CCO2.Cc1cccnc1.Cc1ccnc(Cl)c1.Cc1cn(C)nc1C.Cc1cn(C)nc1C(F)(F)F.Cc1cn[nH]c1C.Cc1cn[nH]c1C(F)(F)F.Cc1cn[nH]c1C(F)(F)F.Cc1cnc(C)nc1.Cc1cnc(N)nc1.Cc1cnn(C)c1C.Cc1cnn(C)c1C(F)(F)F.Cc1csc(C)c1.Cc1n[nH]c(C)c1C.Cc1n[nH]c(C)c1C.Cc1nn(C)c(C(F)(F)F)c1C.Cc1nn(C)c(C)c1C.Cc1nn(C)c(C)c1C.Cn1ccnc1.

What is the InChIKey of 2-chloro-4-methylpyridine;4,5-dimethyl-1H-pyrazole;2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);2-methoxy-4-methylthiophene;5-methyl-2,3-dihydro-1-benzofuran;1-methylimidazole;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);1,3,4-trimethyl-5-(trifluoromethyl)pyrazole?

The InChIKey is GXIQJEPDWGBGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2.C10H14N2O.C9H10O.C7H9F3N2.2C7H12N2.C6H6ClN.4C6H7F3N2.2C6H10N2.C6H8N2.2C6H10N2.C6H7N.C6H8OS.2C6H8S.2C5H5F3N2.C5H7N3.C5H8N2.C4H6N2/c1-10-5-6-11(12-9-10)13-7-3-2-4-8-13;1-9-2-3-10(11-8-9)12-4-6-13-7-5-12;1-7-2-3-9-8(6-7)4-5-10-9;1-4-5(2)11-12(3)6(4)7(8,9)10;2*1-5-6(2)8-9(4)7(5)3;1-5-2-3-8-6(7)4-5;1-4-3-11(2)10-5(4)6(7,8)9;1-4-3-10-11(2)5(4)6(7,8)9;2*1-3-4(2)10-11-5(3)6(7,8)9;1-5-4-8(3)7-6(5)2;1-5-4-7-8(3)6(5)2;1-5-3-7-6(2)8-4-5;2*1-4-5(2)7-8-6(4)3;1-6-3-2-4-7-5-6;1-5-3-6(7-2)8-4-5;1-5-3-6(2)7-4-5;1-5-3-4-6(2)7-5;2*1-3-2-9-10-4(3)5(6,7)8;1-4-2-7-5(6)8-3-4;1-4-3-6-7-5(4)2;1-6-3-2-5-4-6/h5-6,9H,2-4,7-8H2,1H3;2-3,8H,4-7H2,1H3;2-3,6H,4-5H2,1H3;1-3H3;2*1-4H3;2-4H,1H3;2*3H,1-2H3;2*1-2H3,(H,10,11);2*4H,1-3H3;3-4H,1-2H3;2*1-3H3,(H,7,8);2-5H,1H3;3-4H,1-2H3;2*3-4H,1-2H3;2*2H,1H3,(H,9,10);2-3H,1H3,(H2,6,7,8);3H,1-2H3,(H,6,7);2-4H,1H3.

What are the key properties of 2-chloro-4-methylpyridine;4,5-dimethyl-1H-pyrazole;2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);2-methoxy-4-methylthiophene;5-methyl-2,3-dihydro-1-benzofuran;1-methylimidazole;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);1,3,4-trimethyl-5-(trifluoromethyl)pyrazole?

2-chloro-4-methylpyridine;4,5-dimethyl-1H-pyrazole;2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);2-methoxy-4-methylthiophene;5-methyl-2,3-dihydro-1-benzofuran;1-methylimidazole;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);1,3,4-trimethyl-5-(trifluoromethyl)pyrazole has a molecular weight of 3281.38 g/mol, XLogP of 39.22, 3 rotatable bonds, 8 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-methylpyridine;4,5-dimethyl-1H-pyrazole;2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);2-methoxy-4-methylthiophene;5-methyl-2,3-dihydro-1-benzofuran;1-methylimidazole;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);bis(1,3,4,5-tetramethylpyrazole);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);1,3,4-trimethyl-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 158394229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).