1H-benzimidazole;2-chloropyridine;3-chloropyridine;N,N-dimethylpyridine-3-carboxamide;N-ethylpyridine-3-carboxamide;4-methoxypyridine;1-methoxypyridin-1-ium;1-methylimidazole;2-methylpyridine;3-methylpyridine;N-methylpyridine-3-carboxamide;2-methyl-1,3,4-thiadiazole;4-methyl-1,2,4-triazole;pyridine;pyridine-3-carboxamide;1-pyridin-3-ylethanone;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine

C104H112Cl2F6N27O7S+ — CID 157202553

About 1H-benzimidazole;2-chloropyridine;3-chloropyridine;N,N-dimethylpyridine-3-carboxamide;N-ethylpyridine-3-carboxamide;4-methoxypyridine;1-methoxypyridin-1-ium;1-methylimidazole;2-methylpyridine;3-methylpyridine;N-methylpyridine-3-carboxamide;2-methyl-1,3,4-thiadiazole;4-methyl-1,2,4-triazole;pyridine;pyridine-3-carboxamide;1-pyridin-3-ylethanone;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine

1H-benzimidazole;2-chloropyridine;3-chloropyridine;N,N-dimethylpyridine-3-carboxamide;N-ethylpyridine-3-carboxamide;4-methoxypyridine;1-methoxypyridin-1-ium;1-methylimidazole;2-methylpyridine;3-methylpyridine;N-methylpyridine-3-carboxamide;2-methyl-1,3,4-thiadiazole;4-methyl-1,2,4-triazole;pyridine;pyridine-3-carboxamide;1-pyridin-3-ylethanone;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine (PubChem CID 157202553) has the molecular formula C104H112Cl2F6N27O7S+ and a molecular weight of 2069.18 g/mol. Its IUPAC name is 1H-benzimidazole;2-chloropyridine;3-chloropyridine;N,N-dimethylpyridine-3-carboxamide;N-ethylpyridine-3-carboxamide;4-methoxypyridine;1-methoxypyridin-1-ium;1-methylimidazole;2-methylpyridine;3-methylpyridine;N-methylpyridine-3-carboxamide;2-methyl-1,3,4-thiadiazole;4-methyl-1,2,4-triazole;pyridine;pyridine-3-carboxamide;1-pyridin-3-ylethanone;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine.

Molecular Properties

• Compound Name: 1H-benzimidazole;2-chloropyridine;3-chloropyridine;N,N-dimethylpyridine-3-carboxamide;N-ethylpyridine-3-carboxamide;4-methoxypyridine;1-methoxypyridin-1-ium;1-methylimidazole;2-methylpyridine;3-methylpyridine;N-methylpyridine-3-carboxamide;2-methyl-1,3,4-thiadiazole;4-methyl-1,2,4-triazole;pyridine;pyridine-3-carboxamide;1-pyridin-3-ylethanone;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine
• PubChem CID: 157202553
• Molecular Formula: C104H112Cl2F6N27O7S+
• Molecular Weight: 2069.18 g/mol
• Exact Mass: 2066.82
• IUPAC Name: 1H-benzimidazole;2-chloropyridine;3-chloropyridine;N,N-dimethylpyridine-3-carboxamide;N-ethylpyridine-3-carboxamide;4-methoxypyridine;1-methoxypyridin-1-ium;1-methylimidazole;2-methylpyridine;3-methylpyridine;N-methylpyridine-3-carboxamide;2-methyl-1,3,4-thiadiazole;4-methyl-1,2,4-triazole;pyridine;pyridine-3-carboxamide;1-pyridin-3-ylethanone;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine
• SMILES: CC(=O)c1cccnc1.CCNC(=O)c1cccnc1.CN(C)C(=O)c1cccnc1.CNC(=O)c1cccnc1.CO[n+]1ccccc1.COc1ccncc1.Cc1ccccn1.Cc1cccnc1.Cc1nncs1.Clc1ccccn1.Clc1cccnc1.Cn1ccnc1.Cn1cnnc1.FC(F)(F)c1ccccn1.FC(F)(F)c1cccnc1.NC(=O)c1cccnc1.c1ccc2[nH]cnc2c1.c1ccncc1
• InChI: InChI=1S/2C8H10N2O.C7H8N2O.C7H6N2.C7H7NO.2C6H4F3N.C6H6N2O.C6H7NO.C6H8NO.2C6H7N.2C5H4ClN.C5H5N.C4H6N2.C3H5N3.C3H4N2S/c1-10(2)8(11)7-4-3-5-9-6-7;1-2-10-8(11)7-4-3-5-9-6-7;1-8-7(10)6-3-2-4-9-5-6;1-2-4-7-6(3-1)8-5-9-7;1-6(9)7-3-2-4-8-5-7;7-6(8,9)5-2-1-3-10-4-5;7-6(8,9)5-3-1-2-4-10-5;7-6(9)5-2-1-3-8-4-5;1-8-6-2-4-7-5-3-6;1-8-7-5-3-2-4-6-7;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;6-5-2-1-3-7-4-5;6-5-3-1-2-4-7-5;1-2-4-6-5-3-1;1-6-3-2-5-4-6;1-6-2-4-5-3-6;1-3-5-4-2-6-3/h3-6H,1-2H3;3-6H,2H2,1H3,(H,10,11);2-5H,1H3,(H,8,10);1-5H,(H,8,9);2-5H,1H3;2*1-4H;1-4H,(H2,7,9);2-5H,1H3;2-6H,1H3;2*2-5H,1H3;2*1-4H;1-5H;2-4H,1H3;2-3H,1H3;2H,1H3/q;;;;;;;;;+1
• InChIKey: AQYUCAXJGAJMBP-UHFFFAOYSA-N
• XLogP: 18.82
• TPSA: 431.57 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 8
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2069.18
LogP ≤ 5	18.82
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;2-chloropyridine;3-chloropyridine;N,N-dimethylpyridine-3-carboxamide;N-ethylpyridine-3-carboxamide;4-methoxypyridine;1-methoxypyridin-1-ium;1-methylimidazole;2-methylpyridine;3-methylpyridine;N-methylpyridine-3-carboxamide;2-methyl-1,3,4-thiadiazole;4-methyl-1,2,4-triazole;pyridine;pyridine-3-carboxamide;1-pyridin-3-ylethanone;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine?

The IUPAC name of 1H-benzimidazole;2-chloropyridine;3-chloropyridine;N,N-dimethylpyridine-3-carboxamide;N-ethylpyridine-3-carboxamide;4-methoxypyridine;1-methoxypyridin-1-ium;1-methylimidazole;2-methylpyridine;3-methylpyridine;N-methylpyridine-3-carboxamide;2-methyl-1,3,4-thiadiazole;4-methyl-1,2,4-triazole;pyridine;pyridine-3-carboxamide;1-pyridin-3-ylethanone;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine (CID 157202553) is 1H-benzimidazole;2-chloropyridine;3-chloropyridine;N,N-dimethylpyridine-3-carboxamide;N-ethylpyridine-3-carboxamide;4-methoxypyridine;1-methoxypyridin-1-ium;1-methylimidazole;2-methylpyridine;3-methylpyridine;N-methylpyridine-3-carboxamide;2-methyl-1,3,4-thiadiazole;4-methyl-1,2,4-triazole;pyridine;pyridine-3-carboxamide;1-pyridin-3-ylethanone;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine.

What is the SMILES notation for 1H-benzimidazole;2-chloropyridine;3-chloropyridine;N,N-dimethylpyridine-3-carboxamide;N-ethylpyridine-3-carboxamide;4-methoxypyridine;1-methoxypyridin-1-ium;1-methylimidazole;2-methylpyridine;3-methylpyridine;N-methylpyridine-3-carboxamide;2-methyl-1,3,4-thiadiazole;4-methyl-1,2,4-triazole;pyridine;pyridine-3-carboxamide;1-pyridin-3-ylethanone;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine?

The canonical SMILES for 1H-benzimidazole;2-chloropyridine;3-chloropyridine;N,N-dimethylpyridine-3-carboxamide;N-ethylpyridine-3-carboxamide;4-methoxypyridine;1-methoxypyridin-1-ium;1-methylimidazole;2-methylpyridine;3-methylpyridine;N-methylpyridine-3-carboxamide;2-methyl-1,3,4-thiadiazole;4-methyl-1,2,4-triazole;pyridine;pyridine-3-carboxamide;1-pyridin-3-ylethanone;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine is CC(=O)c1cccnc1.CCNC(=O)c1cccnc1.CN(C)C(=O)c1cccnc1.CNC(=O)c1cccnc1.CO[n+]1ccccc1.COc1ccncc1.Cc1ccccn1.Cc1cccnc1.Cc1nncs1.Clc1ccccn1.Clc1cccnc1.Cn1ccnc1.Cn1cnnc1.FC(F)(F)c1ccccn1.FC(F)(F)c1cccnc1.NC(=O)c1cccnc1.c1ccc2[nH]cnc2c1.c1ccncc1.

What is the InChIKey of 1H-benzimidazole;2-chloropyridine;3-chloropyridine;N,N-dimethylpyridine-3-carboxamide;N-ethylpyridine-3-carboxamide;4-methoxypyridine;1-methoxypyridin-1-ium;1-methylimidazole;2-methylpyridine;3-methylpyridine;N-methylpyridine-3-carboxamide;2-methyl-1,3,4-thiadiazole;4-methyl-1,2,4-triazole;pyridine;pyridine-3-carboxamide;1-pyridin-3-ylethanone;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine?

The InChIKey is AQYUCAXJGAJMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H10N2O.C7H8N2O.C7H6N2.C7H7NO.2C6H4F3N.C6H6N2O.C6H7NO.C6H8NO.2C6H7N.2C5H4ClN.C5H5N.C4H6N2.C3H5N3.C3H4N2S/c1-10(2)8(11)7-4-3-5-9-6-7;1-2-10-8(11)7-4-3-5-9-6-7;1-8-7(10)6-3-2-4-9-5-6;1-2-4-7-6(3-1)8-5-9-7;1-6(9)7-3-2-4-8-5-7;7-6(8,9)5-2-1-3-10-4-5;7-6(8,9)5-3-1-2-4-10-5;7-6(9)5-2-1-3-8-4-5;1-8-6-2-4-7-5-3-6;1-8-7-5-3-2-4-6-7;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;6-5-2-1-3-7-4-5;6-5-3-1-2-4-7-5;1-2-4-6-5-3-1;1-6-3-2-5-4-6;1-6-2-4-5-3-6;1-3-5-4-2-6-3/h3-6H,1-2H3;3-6H,2H2,1H3,(H,10,11);2-5H,1H3,(H,8,10);1-5H,(H,8,9);2-5H,1H3;2*1-4H;1-4H,(H2,7,9);2-5H,1H3;2-6H,1H3;2*2-5H,1H3;2*1-4H;1-5H;2-4H,1H3;2-3H,1H3;2H,1H3/q;;;;;;;;;+1;;;;;;;;.

What are the key properties of 1H-benzimidazole;2-chloropyridine;3-chloropyridine;N,N-dimethylpyridine-3-carboxamide;N-ethylpyridine-3-carboxamide;4-methoxypyridine;1-methoxypyridin-1-ium;1-methylimidazole;2-methylpyridine;3-methylpyridine;N-methylpyridine-3-carboxamide;2-methyl-1,3,4-thiadiazole;4-methyl-1,2,4-triazole;pyridine;pyridine-3-carboxamide;1-pyridin-3-ylethanone;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine?

1H-benzimidazole;2-chloropyridine;3-chloropyridine;N,N-dimethylpyridine-3-carboxamide;N-ethylpyridine-3-carboxamide;4-methoxypyridine;1-methoxypyridin-1-ium;1-methylimidazole;2-methylpyridine;3-methylpyridine;N-methylpyridine-3-carboxamide;2-methyl-1,3,4-thiadiazole;4-methyl-1,2,4-triazole;pyridine;pyridine-3-carboxamide;1-pyridin-3-ylethanone;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine has a molecular weight of 2069.18 g/mol, XLogP of 18.82, 8 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1H-benzimidazole;2-chloropyridine;3-chloropyridine;N,N-dimethylpyridine-3-carboxamide;N-ethylpyridine-3-carboxamide;4-methoxypyridine;1-methoxypyridin-1-ium;1-methylimidazole;2-methylpyridine;3-methylpyridine;N-methylpyridine-3-carboxamide;2-methyl-1,3,4-thiadiazole;4-methyl-1,2,4-triazole;pyridine;pyridine-3-carboxamide;1-pyridin-3-ylethanone;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine is sourced from PubChem (CID 157202553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).