2-chloropyridine;3,5-dimethyl-1H-pyrazole;2-ethyl-1H-imidazole;2-fluoropyridine;1H-indazole;1H-indole;2-methoxypyridine;2-methoxypyrimidine;N-methylbenzamide;bis(1-methylpyrazole);5-methyl-1H-pyrazole;3-methylpyridine;1H-pyrazole;pyridin-2-amine;pyridine;1H-pyridin-2-one;N-pyridin-2-ylacetamide;1H-pyrrole;5-(trifluoromethyl)-1H-pyrazole

C105H120ClF4N31O5 — CID 157289352

About 2-chloropyridine;3,5-dimethyl-1H-pyrazole;2-ethyl-1H-imidazole;2-fluoropyridine;1H-indazole;1H-indole;2-methoxypyridine;2-methoxypyrimidine;N-methylbenzamide;bis(1-methylpyrazole);5-methyl-1H-pyrazole;3-methylpyridine;1H-pyrazole;pyridin-2-amine;pyridine;1H-pyridin-2-one;N-pyridin-2-ylacetamide;1H-pyrrole;5-(trifluoromethyl)-1H-pyrazole

2-chloropyridine;3,5-dimethyl-1H-pyrazole;2-ethyl-1H-imidazole;2-fluoropyridine;1H-indazole;1H-indole;2-methoxypyridine;2-methoxypyrimidine;N-methylbenzamide;bis(1-methylpyrazole);5-methyl-1H-pyrazole;3-methylpyridine;1H-pyrazole;pyridin-2-amine;pyridine;1H-pyridin-2-one;N-pyridin-2-ylacetamide;1H-pyrrole;5-(trifluoromethyl)-1H-pyrazole (PubChem CID 157289352) has the molecular formula C105H120ClF4N31O5 and a molecular weight of 2007.77 g/mol. Its IUPAC name is 2-chloropyridine;3,5-dimethyl-1H-pyrazole;2-ethyl-1H-imidazole;2-fluoropyridine;1H-indazole;1H-indole;2-methoxypyridine;2-methoxypyrimidine;N-methylbenzamide;bis(1-methylpyrazole);5-methyl-1H-pyrazole;3-methylpyridine;1H-pyrazole;pyridin-2-amine;pyridine;1H-pyridin-2-one;N-pyridin-2-ylacetamide;1H-pyrrole;5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

• Compound Name: 2-chloropyridine;3,5-dimethyl-1H-pyrazole;2-ethyl-1H-imidazole;2-fluoropyridine;1H-indazole;1H-indole;2-methoxypyridine;2-methoxypyrimidine;N-methylbenzamide;bis(1-methylpyrazole);5-methyl-1H-pyrazole;3-methylpyridine;1H-pyrazole;pyridin-2-amine;pyridine;1H-pyridin-2-one;N-pyridin-2-ylacetamide;1H-pyrrole;5-(trifluoromethyl)-1H-pyrazole
• PubChem CID: 157289352
• Molecular Formula: C105H120ClF4N31O5
• Molecular Weight: 2007.77 g/mol
• Exact Mass: 2005.97
• IUPAC Name: 2-chloropyridine;3,5-dimethyl-1H-pyrazole;2-ethyl-1H-imidazole;2-fluoropyridine;1H-indazole;1H-indole;2-methoxypyridine;2-methoxypyrimidine;N-methylbenzamide;bis(1-methylpyrazole);5-methyl-1H-pyrazole;3-methylpyridine;1H-pyrazole;pyridin-2-amine;pyridine;1H-pyridin-2-one;N-pyridin-2-ylacetamide;1H-pyrrole;5-(trifluoromethyl)-1H-pyrazole
• SMILES: CC(=O)Nc1ccccn1.CCc1ncc[nH]1.CNC(=O)c1ccccc1.COc1ccccn1.COc1ncccn1.Cc1cc(C)[nH]n1.Cc1cccnc1.Cc1ccn[nH]1.Clc1ccccn1.Cn1cccn1.Cn1cccn1.FC(F)(F)c1ccn[nH]1.Fc1ccccn1.Nc1ccccn1.O=c1cccc[nH]1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ncc2c1.c1ccncc1.c1cn[nH]c1
• InChI: InChI=1S/C8H9NO.C8H7N.C7H8N2O.C7H6N2.C6H7NO.C6H7N.C5H4ClN.C5H4FN.C5H6N2O.2C5H8N2.C5H6N2.C5H5NO.C5H5N.C4H3F3N2.3C4H6N2.C4H5N.C3H4N2/c1-9-8(10)7-5-3-2-4-6-7;1-2-4-8-7(3-1)5-6-9-8;1-6(10)9-7-4-2-3-5-8-7;1-2-4-7-6(3-1)5-8-9-7;1-8-6-4-2-3-5-7-6;1-6-3-2-4-7-5-6;2*6-5-3-1-2-4-7-5;1-8-5-6-3-2-4-7-5;1-4-3-5(2)7-6-4;1-2-5-6-3-4-7-5;6-5-3-1-2-4-7-5;7-5-3-1-2-4-6-5;1-2-4-6-5-3-1;5-4(6,7)3-1-2-8-9-3;2*1-6-4-2-3-5-6;1-4-2-3-5-6-4;2*1-2-4-5-3-1/h2-6H,1H3,(H,9,10);1-6,9H;2-5H,1H3,(H,8,9,10);1-5H,(H,8,9);2-5H,1H3;2-5H,1H3;2*1-4H;2-4H,1H3;3H,1-2H3,(H,6,7);3-4H,2H2,1H3,(H,6,7);1-4H,(H2,6,7);1-4H,(H,6,7);1-5H;1-2H,(H,8,9);2*2-4H,1H3;2-3H,1H3,(H,5,6);1-5H;1-3H,(H,4,5)
• InChIKey: BAPSPRHASSZIAG-UHFFFAOYSA-N
• XLogP: 20.27
• TPSA: 490.85 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 25
• Rotatable Bonds: 5
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2007.77
LogP ≤ 5	20.27
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloropyridine;3,5-dimethyl-1H-pyrazole;2-ethyl-1H-imidazole;2-fluoropyridine;1H-indazole;1H-indole;2-methoxypyridine;2-methoxypyrimidine;N-methylbenzamide;bis(1-methylpyrazole);5-methyl-1H-pyrazole;3-methylpyridine;1H-pyrazole;pyridin-2-amine;pyridine;1H-pyridin-2-one;N-pyridin-2-ylacetamide;1H-pyrrole;5-(trifluoromethyl)-1H-pyrazole?

The IUPAC name of 2-chloropyridine;3,5-dimethyl-1H-pyrazole;2-ethyl-1H-imidazole;2-fluoropyridine;1H-indazole;1H-indole;2-methoxypyridine;2-methoxypyrimidine;N-methylbenzamide;bis(1-methylpyrazole);5-methyl-1H-pyrazole;3-methylpyridine;1H-pyrazole;pyridin-2-amine;pyridine;1H-pyridin-2-one;N-pyridin-2-ylacetamide;1H-pyrrole;5-(trifluoromethyl)-1H-pyrazole (CID 157289352) is 2-chloropyridine;3,5-dimethyl-1H-pyrazole;2-ethyl-1H-imidazole;2-fluoropyridine;1H-indazole;1H-indole;2-methoxypyridine;2-methoxypyrimidine;N-methylbenzamide;bis(1-methylpyrazole);5-methyl-1H-pyrazole;3-methylpyridine;1H-pyrazole;pyridin-2-amine;pyridine;1H-pyridin-2-one;N-pyridin-2-ylacetamide;1H-pyrrole;5-(trifluoromethyl)-1H-pyrazole.

What is the SMILES notation for 2-chloropyridine;3,5-dimethyl-1H-pyrazole;2-ethyl-1H-imidazole;2-fluoropyridine;1H-indazole;1H-indole;2-methoxypyridine;2-methoxypyrimidine;N-methylbenzamide;bis(1-methylpyrazole);5-methyl-1H-pyrazole;3-methylpyridine;1H-pyrazole;pyridin-2-amine;pyridine;1H-pyridin-2-one;N-pyridin-2-ylacetamide;1H-pyrrole;5-(trifluoromethyl)-1H-pyrazole?

The canonical SMILES for 2-chloropyridine;3,5-dimethyl-1H-pyrazole;2-ethyl-1H-imidazole;2-fluoropyridine;1H-indazole;1H-indole;2-methoxypyridine;2-methoxypyrimidine;N-methylbenzamide;bis(1-methylpyrazole);5-methyl-1H-pyrazole;3-methylpyridine;1H-pyrazole;pyridin-2-amine;pyridine;1H-pyridin-2-one;N-pyridin-2-ylacetamide;1H-pyrrole;5-(trifluoromethyl)-1H-pyrazole is CC(=O)Nc1ccccn1.CCc1ncc[nH]1.CNC(=O)c1ccccc1.COc1ccccn1.COc1ncccn1.Cc1cc(C)[nH]n1.Cc1cccnc1.Cc1ccn[nH]1.Clc1ccccn1.Cn1cccn1.Cn1cccn1.FC(F)(F)c1ccn[nH]1.Fc1ccccn1.Nc1ccccn1.O=c1cccc[nH]1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ncc2c1.c1ccncc1.c1cn[nH]c1.

What is the InChIKey of 2-chloropyridine;3,5-dimethyl-1H-pyrazole;2-ethyl-1H-imidazole;2-fluoropyridine;1H-indazole;1H-indole;2-methoxypyridine;2-methoxypyrimidine;N-methylbenzamide;bis(1-methylpyrazole);5-methyl-1H-pyrazole;3-methylpyridine;1H-pyrazole;pyridin-2-amine;pyridine;1H-pyridin-2-one;N-pyridin-2-ylacetamide;1H-pyrrole;5-(trifluoromethyl)-1H-pyrazole?

The InChIKey is BAPSPRHASSZIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO.C8H7N.C7H8N2O.C7H6N2.C6H7NO.C6H7N.C5H4ClN.C5H4FN.C5H6N2O.2C5H8N2.C5H6N2.C5H5NO.C5H5N.C4H3F3N2.3C4H6N2.C4H5N.C3H4N2/c1-9-8(10)7-5-3-2-4-6-7;1-2-4-8-7(3-1)5-6-9-8;1-6(10)9-7-4-2-3-5-8-7;1-2-4-7-6(3-1)5-8-9-7;1-8-6-4-2-3-5-7-6;1-6-3-2-4-7-5-6;2*6-5-3-1-2-4-7-5;1-8-5-6-3-2-4-7-5;1-4-3-5(2)7-6-4;1-2-5-6-3-4-7-5;6-5-3-1-2-4-7-5;7-5-3-1-2-4-6-5;1-2-4-6-5-3-1;5-4(6,7)3-1-2-8-9-3;2*1-6-4-2-3-5-6;1-4-2-3-5-6-4;2*1-2-4-5-3-1/h2-6H,1H3,(H,9,10);1-6,9H;2-5H,1H3,(H,8,9,10);1-5H,(H,8,9);2-5H,1H3;2-5H,1H3;2*1-4H;2-4H,1H3;3H,1-2H3,(H,6,7);3-4H,2H2,1H3,(H,6,7);1-4H,(H2,6,7);1-4H,(H,6,7);1-5H;1-2H,(H,8,9);2*2-4H,1H3;2-3H,1H3,(H,5,6);1-5H;1-3H,(H,4,5).

What are the key properties of 2-chloropyridine;3,5-dimethyl-1H-pyrazole;2-ethyl-1H-imidazole;2-fluoropyridine;1H-indazole;1H-indole;2-methoxypyridine;2-methoxypyrimidine;N-methylbenzamide;bis(1-methylpyrazole);5-methyl-1H-pyrazole;3-methylpyridine;1H-pyrazole;pyridin-2-amine;pyridine;1H-pyridin-2-one;N-pyridin-2-ylacetamide;1H-pyrrole;5-(trifluoromethyl)-1H-pyrazole?

2-chloropyridine;3,5-dimethyl-1H-pyrazole;2-ethyl-1H-imidazole;2-fluoropyridine;1H-indazole;1H-indole;2-methoxypyridine;2-methoxypyrimidine;N-methylbenzamide;bis(1-methylpyrazole);5-methyl-1H-pyrazole;3-methylpyridine;1H-pyrazole;pyridin-2-amine;pyridine;1H-pyridin-2-one;N-pyridin-2-ylacetamide;1H-pyrrole;5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 2007.77 g/mol, XLogP of 20.27, 5 rotatable bonds, 12 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloropyridine;3,5-dimethyl-1H-pyrazole;2-ethyl-1H-imidazole;2-fluoropyridine;1H-indazole;1H-indole;2-methoxypyridine;2-methoxypyrimidine;N-methylbenzamide;bis(1-methylpyrazole);5-methyl-1H-pyrazole;3-methylpyridine;1H-pyrazole;pyridin-2-amine;pyridine;1H-pyridin-2-one;N-pyridin-2-ylacetamide;1H-pyrrole;5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 157289352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).