2-chloro-4-methylpyridine;2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;2-methoxy-4-methylthiophene;4-methylaniline;5-methyl-2,3-dihydro-1-benzofuran;1-methylimidazole;5-methyl-2-piperidin-1-ylpyridine;5-methylpyridin-2-amine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;N,N,3-trimethylaniline

C142H182ClF4N19O6S3 — CID 159433342

About 2-chloro-4-methylpyridine;2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;2-methoxy-4-methylthiophene;4-methylaniline;5-methyl-2,3-dihydro-1-benzofuran;1-methylimidazole;5-methyl-2-piperidin-1-ylpyridine;5-methylpyridin-2-amine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;N,N,3-trimethylaniline

2-chloro-4-methylpyridine;2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;2-methoxy-4-methylthiophene;4-methylaniline;5-methyl-2,3-dihydro-1-benzofuran;1-methylimidazole;5-methyl-2-piperidin-1-ylpyridine;5-methylpyridin-2-amine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;N,N,3-trimethylaniline (PubChem CID 159433342) has the molecular formula C142H182ClF4N19O6S3 and a molecular weight of 2458.79 g/mol. Its IUPAC name is 2-chloro-4-methylpyridine;2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;2-methoxy-4-methylthiophene;4-methylaniline;5-methyl-2,3-dihydro-1-benzofuran;1-methylimidazole;5-methyl-2-piperidin-1-ylpyridine;5-methylpyridin-2-amine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;N,N,3-trimethylaniline.

Molecular Properties

• Compound Name: 2-chloro-4-methylpyridine;2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;2-methoxy-4-methylthiophene;4-methylaniline;5-methyl-2,3-dihydro-1-benzofuran;1-methylimidazole;5-methyl-2-piperidin-1-ylpyridine;5-methylpyridin-2-amine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;N,N,3-trimethylaniline
• PubChem CID: 159433342
• Molecular Formula: C142H182ClF4N19O6S3
• Molecular Weight: 2458.79 g/mol
• Exact Mass: 2456.33
• IUPAC Name: 2-chloro-4-methylpyridine;2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;2-methoxy-4-methylthiophene;4-methylaniline;5-methyl-2,3-dihydro-1-benzofuran;1-methylimidazole;5-methyl-2-piperidin-1-ylpyridine;5-methylpyridin-2-amine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;N,N,3-trimethylaniline
• SMILES: COc1cc(C)cs1.Cc1ccc(C(=O)N2CCN(CCO)CC2)cc1.Cc1ccc(C(C)(C)O)c(F)c1.Cc1ccc(C)s1.Cc1ccc(F)cc1.Cc1ccc(N)cc1.Cc1ccc(N)nc1.Cc1ccc(N2CCCCC2)nc1.Cc1ccc(N2CCOCC2)nc1.Cc1ccc2c(c1)CCO2.Cc1cccc(F)c1.Cc1cccc(N(C)C)c1.Cc1ccccc1F.Cc1cccnc1.Cc1ccnc(Cl)c1.Cc1cnc(C)nc1.Cc1cnc(N)nc1.Cc1csc(C)c1.Cn1ccnc1
• InChI: InChI=1S/C14H20N2O2.C11H16N2.C10H13FO.C10H14N2O.C9H13N.C9H10O.3C7H7F.C7H9N.C6H6ClN.2C6H8N2.C6H7N.C6H8OS.2C6H8S.C5H7N3.C4H6N2/c1-12-2-4-13(5-3-12)14(18)16-8-6-15(7-9-16)10-11-17;1-10-5-6-11(12-9-10)13-7-3-2-4-8-13;1-7-4-5-8(9(11)6-7)10(2,3)12;1-9-2-3-10(11-8-9)12-4-6-13-7-5-12;1-8-5-4-6-9(7-8)10(2)3;1-7-2-3-9-8(6-7)4-5-10-9;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)8;1-6-2-4-7(8)5-3-6;1-5-2-3-8-6(7)4-5;1-5-3-7-6(2)8-4-5;1-5-2-3-6(7)8-4-5;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;1-4-2-7-5(6)8-3-4;1-6-3-2-5-4-6/h2-5,17H,6-11H2,1H3;5-6,9H,2-4,7-8H2,1H3;4-6,12H,1-3H3;2-3,8H,4-7H2,1H3;4-7H,1-3H3;2-3,6H,4-5H2,1H3;3*2-5H,1H3;2-5H,8H2,1H3;2-4H,1H3;3-4H,1-2H3;2-4H,1H3,(H2,7,8);2-5H,1H3;3-4H,1-2H3;2*3-4H,1-2H3;2-3H,1H3,(H2,6,7,8);2-4H,1H3
• InChIKey: LRGKCPCINNTKRY-UHFFFAOYSA-N
• XLogP: 31.77
• TPSA: 313.31 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 8
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2458.79
LogP ≤ 5	31.77
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methylpyridine;2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;2-methoxy-4-methylthiophene;4-methylaniline;5-methyl-2,3-dihydro-1-benzofuran;1-methylimidazole;5-methyl-2-piperidin-1-ylpyridine;5-methylpyridin-2-amine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;N,N,3-trimethylaniline?

The IUPAC name of 2-chloro-4-methylpyridine;2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;2-methoxy-4-methylthiophene;4-methylaniline;5-methyl-2,3-dihydro-1-benzofuran;1-methylimidazole;5-methyl-2-piperidin-1-ylpyridine;5-methylpyridin-2-amine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;N,N,3-trimethylaniline (CID 159433342) is 2-chloro-4-methylpyridine;2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;2-methoxy-4-methylthiophene;4-methylaniline;5-methyl-2,3-dihydro-1-benzofuran;1-methylimidazole;5-methyl-2-piperidin-1-ylpyridine;5-methylpyridin-2-amine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;N,N,3-trimethylaniline.

What is the SMILES notation for 2-chloro-4-methylpyridine;2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;2-methoxy-4-methylthiophene;4-methylaniline;5-methyl-2,3-dihydro-1-benzofuran;1-methylimidazole;5-methyl-2-piperidin-1-ylpyridine;5-methylpyridin-2-amine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;N,N,3-trimethylaniline?

The canonical SMILES for 2-chloro-4-methylpyridine;2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;2-methoxy-4-methylthiophene;4-methylaniline;5-methyl-2,3-dihydro-1-benzofuran;1-methylimidazole;5-methyl-2-piperidin-1-ylpyridine;5-methylpyridin-2-amine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;N,N,3-trimethylaniline is COc1cc(C)cs1.Cc1ccc(C(=O)N2CCN(CCO)CC2)cc1.Cc1ccc(C(C)(C)O)c(F)c1.Cc1ccc(C)s1.Cc1ccc(F)cc1.Cc1ccc(N)cc1.Cc1ccc(N)nc1.Cc1ccc(N2CCCCC2)nc1.Cc1ccc(N2CCOCC2)nc1.Cc1ccc2c(c1)CCO2.Cc1cccc(F)c1.Cc1cccc(N(C)C)c1.Cc1ccccc1F.Cc1cccnc1.Cc1ccnc(Cl)c1.Cc1cnc(C)nc1.Cc1cnc(N)nc1.Cc1csc(C)c1.Cn1ccnc1.

What is the InChIKey of 2-chloro-4-methylpyridine;2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;2-methoxy-4-methylthiophene;4-methylaniline;5-methyl-2,3-dihydro-1-benzofuran;1-methylimidazole;5-methyl-2-piperidin-1-ylpyridine;5-methylpyridin-2-amine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;N,N,3-trimethylaniline?

The InChIKey is LRGKCPCINNTKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2.C11H16N2.C10H13FO.C10H14N2O.C9H13N.C9H10O.3C7H7F.C7H9N.C6H6ClN.2C6H8N2.C6H7N.C6H8OS.2C6H8S.C5H7N3.C4H6N2/c1-12-2-4-13(5-3-12)14(18)16-8-6-15(7-9-16)10-11-17;1-10-5-6-11(12-9-10)13-7-3-2-4-8-13;1-7-4-5-8(9(11)6-7)10(2,3)12;1-9-2-3-10(11-8-9)12-4-6-13-7-5-12;1-8-5-4-6-9(7-8)10(2)3;1-7-2-3-9-8(6-7)4-5-10-9;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)8;1-6-2-4-7(8)5-3-6;1-5-2-3-8-6(7)4-5;1-5-3-7-6(2)8-4-5;1-5-2-3-6(7)8-4-5;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;1-4-2-7-5(6)8-3-4;1-6-3-2-5-4-6/h2-5,17H,6-11H2,1H3;5-6,9H,2-4,7-8H2,1H3;4-6,12H,1-3H3;2-3,8H,4-7H2,1H3;4-7H,1-3H3;2-3,6H,4-5H2,1H3;3*2-5H,1H3;2-5H,8H2,1H3;2-4H,1H3;3-4H,1-2H3;2-4H,1H3,(H2,7,8);2-5H,1H3;3-4H,1-2H3;2*3-4H,1-2H3;2-3H,1H3,(H2,6,7,8);2-4H,1H3.

What are the key properties of 2-chloro-4-methylpyridine;2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;2-methoxy-4-methylthiophene;4-methylaniline;5-methyl-2,3-dihydro-1-benzofuran;1-methylimidazole;5-methyl-2-piperidin-1-ylpyridine;5-methylpyridin-2-amine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;N,N,3-trimethylaniline?

2-chloro-4-methylpyridine;2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;2-methoxy-4-methylthiophene;4-methylaniline;5-methyl-2,3-dihydro-1-benzofuran;1-methylimidazole;5-methyl-2-piperidin-1-ylpyridine;5-methylpyridin-2-amine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;N,N,3-trimethylaniline has a molecular weight of 2458.79 g/mol, XLogP of 31.77, 8 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-methylpyridine;2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;2-methoxy-4-methylthiophene;4-methylaniline;5-methyl-2,3-dihydro-1-benzofuran;1-methylimidazole;5-methyl-2-piperidin-1-ylpyridine;5-methylpyridin-2-amine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;N,N,3-trimethylaniline is sourced from PubChem (CID 159433342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).