3-chloropyridine;2,5-dimethylthiophene;1-iodo-4-methoxybenzene;4-methoxy-2-methylpyrimidine;4-methoxypyridine;1-methylimidazole;1-(4-methylphenyl)ethanone;1-methylpyrazole;4-methylpyridine;5-methylpyrimidine;1-methylpyrrole;pyrazine;pyridine;pyrimidine;2H-pyrrole;thiophene;toluene;1,3,5-trimethoxybenzene

C100H118ClIN18O7S2 — CID 159518822

About 3-chloropyridine;2,5-dimethylthiophene;1-iodo-4-methoxybenzene;4-methoxy-2-methylpyrimidine;4-methoxypyridine;1-methylimidazole;1-(4-methylphenyl)ethanone;1-methylpyrazole;4-methylpyridine;5-methylpyrimidine;1-methylpyrrole;pyrazine;pyridine;pyrimidine;2H-pyrrole;thiophene;toluene;1,3,5-trimethoxybenzene

3-chloropyridine;2,5-dimethylthiophene;1-iodo-4-methoxybenzene;4-methoxy-2-methylpyrimidine;4-methoxypyridine;1-methylimidazole;1-(4-methylphenyl)ethanone;1-methylpyrazole;4-methylpyridine;5-methylpyrimidine;1-methylpyrrole;pyrazine;pyridine;pyrimidine;2H-pyrrole;thiophene;toluene;1,3,5-trimethoxybenzene (PubChem CID 159518822) has the molecular formula C100H118ClIN18O7S2 and a molecular weight of 1910.65 g/mol. Its IUPAC name is 3-chloropyridine;2,5-dimethylthiophene;1-iodo-4-methoxybenzene;4-methoxy-2-methylpyrimidine;4-methoxypyridine;1-methylimidazole;1-(4-methylphenyl)ethanone;1-methylpyrazole;4-methylpyridine;5-methylpyrimidine;1-methylpyrrole;pyrazine;pyridine;pyrimidine;2H-pyrrole;thiophene;toluene;1,3,5-trimethoxybenzene.

Molecular Properties

• Compound Name: 3-chloropyridine;2,5-dimethylthiophene;1-iodo-4-methoxybenzene;4-methoxy-2-methylpyrimidine;4-methoxypyridine;1-methylimidazole;1-(4-methylphenyl)ethanone;1-methylpyrazole;4-methylpyridine;5-methylpyrimidine;1-methylpyrrole;pyrazine;pyridine;pyrimidine;2H-pyrrole;thiophene;toluene;1,3,5-trimethoxybenzene
• PubChem CID: 159518822
• Molecular Formula: C100H118ClIN18O7S2
• Molecular Weight: 1910.65 g/mol
• Exact Mass: 1908.76
• IUPAC Name: 3-chloropyridine;2,5-dimethylthiophene;1-iodo-4-methoxybenzene;4-methoxy-2-methylpyrimidine;4-methoxypyridine;1-methylimidazole;1-(4-methylphenyl)ethanone;1-methylpyrazole;4-methylpyridine;5-methylpyrimidine;1-methylpyrrole;pyrazine;pyridine;pyrimidine;2H-pyrrole;thiophene;toluene;1,3,5-trimethoxybenzene
• SMILES: C1=CCN=C1.CC(=O)c1ccc(C)cc1.COc1cc(OC)cc(OC)c1.COc1ccc(I)cc1.COc1ccnc(C)n1.COc1ccncc1.Cc1ccc(C)s1.Cc1ccccc1.Cc1ccncc1.Cc1cncnc1.Clc1cccnc1.Cn1cccc1.Cn1cccn1.Cn1ccnc1.c1ccncc1.c1ccsc1.c1cnccn1.c1cncnc1
• InChI: InChI=1S/C9H12O3.C9H10O.C7H7IO.C7H8.C6H8N2O.C6H7NO.C6H7N.C6H8S.C5H4ClN.C5H6N2.C5H7N.C5H5N.2C4H6N2.2C4H4N2.C4H5N.C4H4S/c1-10-7-4-8(11-2)6-9(5-7)12-3;1-7-3-5-9(6-4-7)8(2)10;1-9-7-4-2-6(8)3-5-7;1-7-5-3-2-4-6-7;1-5-7-4-3-6(8-5)9-2;1-8-6-2-4-7-5-3-6;1-6-2-4-7-5-3-6;1-5-3-4-6(2)7-5;6-5-2-1-3-7-4-5;1-5-2-6-4-7-3-5;1-6-4-2-3-5-6;1-2-4-6-5-3-1;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-2-6-4-3-5-1;1-2-5-4-6-3-1;2*1-2-4-5-3-1/h4-6H,1-3H3;3-6H,1-2H3;2-5H,1H3;2-6H,1H3;3-4H,1-2H3;2-5H,1H3;2-5H,1H3;3-4H,1-2H3;1-4H;2-4H,1H3;2-5H,1H3;1-5H;2*2-4H,1H3;2*1-4H;1-3H,4H2;1-4H
• InChIKey: MBNVHGZXXIDVHJ-UHFFFAOYSA-N
• XLogP: 22.64
• TPSA: 280.06 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 7
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1910.65
LogP ≤ 5	22.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-chloropyridine;2,5-dimethylthiophene;1-iodo-4-methoxybenzene;4-methoxy-2-methylpyrimidine;4-methoxypyridine;1-methylimidazole;1-(4-methylphenyl)ethanone;1-methylpyrazole;4-methylpyridine;5-methylpyrimidine;1-methylpyrrole;pyrazine;pyridine;pyrimidine;2H-pyrrole;thiophene;toluene;1,3,5-trimethoxybenzene?

The IUPAC name of 3-chloropyridine;2,5-dimethylthiophene;1-iodo-4-methoxybenzene;4-methoxy-2-methylpyrimidine;4-methoxypyridine;1-methylimidazole;1-(4-methylphenyl)ethanone;1-methylpyrazole;4-methylpyridine;5-methylpyrimidine;1-methylpyrrole;pyrazine;pyridine;pyrimidine;2H-pyrrole;thiophene;toluene;1,3,5-trimethoxybenzene (CID 159518822) is 3-chloropyridine;2,5-dimethylthiophene;1-iodo-4-methoxybenzene;4-methoxy-2-methylpyrimidine;4-methoxypyridine;1-methylimidazole;1-(4-methylphenyl)ethanone;1-methylpyrazole;4-methylpyridine;5-methylpyrimidine;1-methylpyrrole;pyrazine;pyridine;pyrimidine;2H-pyrrole;thiophene;toluene;1,3,5-trimethoxybenzene.

What is the SMILES notation for 3-chloropyridine;2,5-dimethylthiophene;1-iodo-4-methoxybenzene;4-methoxy-2-methylpyrimidine;4-methoxypyridine;1-methylimidazole;1-(4-methylphenyl)ethanone;1-methylpyrazole;4-methylpyridine;5-methylpyrimidine;1-methylpyrrole;pyrazine;pyridine;pyrimidine;2H-pyrrole;thiophene;toluene;1,3,5-trimethoxybenzene?

The canonical SMILES for 3-chloropyridine;2,5-dimethylthiophene;1-iodo-4-methoxybenzene;4-methoxy-2-methylpyrimidine;4-methoxypyridine;1-methylimidazole;1-(4-methylphenyl)ethanone;1-methylpyrazole;4-methylpyridine;5-methylpyrimidine;1-methylpyrrole;pyrazine;pyridine;pyrimidine;2H-pyrrole;thiophene;toluene;1,3,5-trimethoxybenzene is C1=CCN=C1.CC(=O)c1ccc(C)cc1.COc1cc(OC)cc(OC)c1.COc1ccc(I)cc1.COc1ccnc(C)n1.COc1ccncc1.Cc1ccc(C)s1.Cc1ccccc1.Cc1ccncc1.Cc1cncnc1.Clc1cccnc1.Cn1cccc1.Cn1cccn1.Cn1ccnc1.c1ccncc1.c1ccsc1.c1cnccn1.c1cncnc1.

What is the InChIKey of 3-chloropyridine;2,5-dimethylthiophene;1-iodo-4-methoxybenzene;4-methoxy-2-methylpyrimidine;4-methoxypyridine;1-methylimidazole;1-(4-methylphenyl)ethanone;1-methylpyrazole;4-methylpyridine;5-methylpyrimidine;1-methylpyrrole;pyrazine;pyridine;pyrimidine;2H-pyrrole;thiophene;toluene;1,3,5-trimethoxybenzene?

The InChIKey is MBNVHGZXXIDVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3.C9H10O.C7H7IO.C7H8.C6H8N2O.C6H7NO.C6H7N.C6H8S.C5H4ClN.C5H6N2.C5H7N.C5H5N.2C4H6N2.2C4H4N2.C4H5N.C4H4S/c1-10-7-4-8(11-2)6-9(5-7)12-3;1-7-3-5-9(6-4-7)8(2)10;1-9-7-4-2-6(8)3-5-7;1-7-5-3-2-4-6-7;1-5-7-4-3-6(8-5)9-2;1-8-6-2-4-7-5-3-6;1-6-2-4-7-5-3-6;1-5-3-4-6(2)7-5;6-5-2-1-3-7-4-5;1-5-2-6-4-7-3-5;1-6-4-2-3-5-6;1-2-4-6-5-3-1;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-2-6-4-3-5-1;1-2-5-4-6-3-1;2*1-2-4-5-3-1/h4-6H,1-3H3;3-6H,1-2H3;2-5H,1H3;2-6H,1H3;3-4H,1-2H3;2-5H,1H3;2-5H,1H3;3-4H,1-2H3;1-4H;2-4H,1H3;2-5H,1H3;1-5H;2*2-4H,1H3;2*1-4H;1-3H,4H2;1-4H.

What are the key properties of 3-chloropyridine;2,5-dimethylthiophene;1-iodo-4-methoxybenzene;4-methoxy-2-methylpyrimidine;4-methoxypyridine;1-methylimidazole;1-(4-methylphenyl)ethanone;1-methylpyrazole;4-methylpyridine;5-methylpyrimidine;1-methylpyrrole;pyrazine;pyridine;pyrimidine;2H-pyrrole;thiophene;toluene;1,3,5-trimethoxybenzene?

3-chloropyridine;2,5-dimethylthiophene;1-iodo-4-methoxybenzene;4-methoxy-2-methylpyrimidine;4-methoxypyridine;1-methylimidazole;1-(4-methylphenyl)ethanone;1-methylpyrazole;4-methylpyridine;5-methylpyrimidine;1-methylpyrrole;pyrazine;pyridine;pyrimidine;2H-pyrrole;thiophene;toluene;1,3,5-trimethoxybenzene has a molecular weight of 1910.65 g/mol, XLogP of 22.64, 7 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloropyridine;2,5-dimethylthiophene;1-iodo-4-methoxybenzene;4-methoxy-2-methylpyrimidine;4-methoxypyridine;1-methylimidazole;1-(4-methylphenyl)ethanone;1-methylpyrazole;4-methylpyridine;5-methylpyrimidine;1-methylpyrrole;pyrazine;pyridine;pyrimidine;2H-pyrrole;thiophene;toluene;1,3,5-trimethoxybenzene is sourced from PubChem (CID 159518822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).