3-chloropyridine;bis(2-fluoropyridine);3-fluoropyridine;2-methoxypyrimidine;tris(2-methylpyrazine);2-methylpyridine;bis(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;pyrazine;bis(pyridin-2-amine);tris(pyridine);pyrimidin-2-amine;pyrimidine;tris(1,3-thiazole);thiophene;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine

C138H144ClF9N38OS7 — CID 159189621

About 3-chloropyridine;bis(2-fluoropyridine);3-fluoropyridine;2-methoxypyrimidine;tris(2-methylpyrazine);2-methylpyridine;bis(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;pyrazine;bis(pyridin-2-amine);tris(pyridine);pyrimidin-2-amine;pyrimidine;tris(1,3-thiazole);thiophene;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine

3-chloropyridine;bis(2-fluoropyridine);3-fluoropyridine;2-methoxypyrimidine;tris(2-methylpyrazine);2-methylpyridine;bis(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;pyrazine;bis(pyridin-2-amine);tris(pyridine);pyrimidin-2-amine;pyrimidine;tris(1,3-thiazole);thiophene;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine (PubChem CID 159189621) has the molecular formula C138H144ClF9N38OS7 and a molecular weight of 2781.84 g/mol. Its IUPAC name is 3-chloropyridine;bis(2-fluoropyridine);3-fluoropyridine;2-methoxypyrimidine;tris(2-methylpyrazine);2-methylpyridine;bis(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;pyrazine;bis(pyridin-2-amine);tris(pyridine);pyrimidin-2-amine;pyrimidine;tris(1,3-thiazole);thiophene;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine.

Molecular Properties

• Compound Name: 3-chloropyridine;bis(2-fluoropyridine);3-fluoropyridine;2-methoxypyrimidine;tris(2-methylpyrazine);2-methylpyridine;bis(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;pyrazine;bis(pyridin-2-amine);tris(pyridine);pyrimidin-2-amine;pyrimidine;tris(1,3-thiazole);thiophene;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine
• PubChem CID: 159189621
• Molecular Formula: C138H144ClF9N38OS7
• Molecular Weight: 2781.84 g/mol
• Exact Mass: 2779.00
• IUPAC Name: 3-chloropyridine;bis(2-fluoropyridine);3-fluoropyridine;2-methoxypyrimidine;tris(2-methylpyrazine);2-methylpyridine;bis(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;pyrazine;bis(pyridin-2-amine);tris(pyridine);pyrimidin-2-amine;pyrimidine;tris(1,3-thiazole);thiophene;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine
• SMILES: COc1ncccn1.Cc1ccccn1.Cc1cccnc1.Cc1cccnc1.Cc1ccncc1.Cc1cnccn1.Cc1cnccn1.Cc1cnccn1.Cc1cncs1.Cc1cscn1.Cc1nccs1.Clc1cccnc1.FC(F)(F)c1cccnc1.FC(F)(F)c1ccncc1.Fc1ccccn1.Fc1ccccn1.Fc1cccnc1.Nc1ccccn1.Nc1ccccn1.Nc1ncccn1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccsc1.c1cnccn1.c1cncnc1.c1cscn1.c1cscn1.c1cscn1
• InChI: InChI=1S/2C6H4F3N.4C6H7N.C5H4ClN.3C5H4FN.C5H6N2O.5C5H6N2.3C5H5N.C4H5N3.2C4H4N2.3C4H5NS.C4H4S.3C3H3NS/c7-6(8,9)5-1-3-10-4-2-5;7-6(8,9)5-2-1-3-10-4-5;1-6-2-4-7-5-3-6;2*1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;2*6-5-2-1-3-7-4-5;2*6-5-3-1-2-4-7-5;1-8-5-6-3-2-4-7-5;3*1-5-4-6-2-3-7-5;2*6-5-3-1-2-4-7-5;3*1-2-4-6-5-3-1;5-4-6-2-1-3-7-4;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-2-4-5-3-1;3*1-2-5-3-4-1/h2*1-4H;4*2-5H,1H3;4*1-4H;2-4H,1H3;3*2-4H,1H3;2*1-4H,(H2,6,7);3*1-5H;1-3H,(H2,5,6,7);2*1-4H;3*2-3H,1H3;1-4H;3*1-3H
• InChIKey: KNXPRYLETQDPGE-UHFFFAOYSA-N
• XLogP: 33.11
• TPSA: 538.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 46
• Rotatable Bonds: 1
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2781.84
LogP ≤ 5	33.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-chloropyridine;bis(2-fluoropyridine);3-fluoropyridine;2-methoxypyrimidine;tris(2-methylpyrazine);2-methylpyridine;bis(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;pyrazine;bis(pyridin-2-amine);tris(pyridine);pyrimidin-2-amine;pyrimidine;tris(1,3-thiazole);thiophene;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine?

The IUPAC name of 3-chloropyridine;bis(2-fluoropyridine);3-fluoropyridine;2-methoxypyrimidine;tris(2-methylpyrazine);2-methylpyridine;bis(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;pyrazine;bis(pyridin-2-amine);tris(pyridine);pyrimidin-2-amine;pyrimidine;tris(1,3-thiazole);thiophene;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine (CID 159189621) is 3-chloropyridine;bis(2-fluoropyridine);3-fluoropyridine;2-methoxypyrimidine;tris(2-methylpyrazine);2-methylpyridine;bis(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;pyrazine;bis(pyridin-2-amine);tris(pyridine);pyrimidin-2-amine;pyrimidine;tris(1,3-thiazole);thiophene;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine.

What is the SMILES notation for 3-chloropyridine;bis(2-fluoropyridine);3-fluoropyridine;2-methoxypyrimidine;tris(2-methylpyrazine);2-methylpyridine;bis(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;pyrazine;bis(pyridin-2-amine);tris(pyridine);pyrimidin-2-amine;pyrimidine;tris(1,3-thiazole);thiophene;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine?

The canonical SMILES for 3-chloropyridine;bis(2-fluoropyridine);3-fluoropyridine;2-methoxypyrimidine;tris(2-methylpyrazine);2-methylpyridine;bis(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;pyrazine;bis(pyridin-2-amine);tris(pyridine);pyrimidin-2-amine;pyrimidine;tris(1,3-thiazole);thiophene;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine is COc1ncccn1.Cc1ccccn1.Cc1cccnc1.Cc1cccnc1.Cc1ccncc1.Cc1cnccn1.Cc1cnccn1.Cc1cnccn1.Cc1cncs1.Cc1cscn1.Cc1nccs1.Clc1cccnc1.FC(F)(F)c1cccnc1.FC(F)(F)c1ccncc1.Fc1ccccn1.Fc1ccccn1.Fc1cccnc1.Nc1ccccn1.Nc1ccccn1.Nc1ncccn1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccsc1.c1cnccn1.c1cncnc1.c1cscn1.c1cscn1.c1cscn1.

What is the InChIKey of 3-chloropyridine;bis(2-fluoropyridine);3-fluoropyridine;2-methoxypyrimidine;tris(2-methylpyrazine);2-methylpyridine;bis(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;pyrazine;bis(pyridin-2-amine);tris(pyridine);pyrimidin-2-amine;pyrimidine;tris(1,3-thiazole);thiophene;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine?

The InChIKey is KNXPRYLETQDPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H4F3N.4C6H7N.C5H4ClN.3C5H4FN.C5H6N2O.5C5H6N2.3C5H5N.C4H5N3.2C4H4N2.3C4H5NS.C4H4S.3C3H3NS/c7-6(8,9)5-1-3-10-4-2-5;7-6(8,9)5-2-1-3-10-4-5;1-6-2-4-7-5-3-6;2*1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;2*6-5-2-1-3-7-4-5;2*6-5-3-1-2-4-7-5;1-8-5-6-3-2-4-7-5;3*1-5-4-6-2-3-7-5;2*6-5-3-1-2-4-7-5;3*1-2-4-6-5-3-1;5-4-6-2-1-3-7-4;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-2-4-5-3-1;3*1-2-5-3-4-1/h2*1-4H;4*2-5H,1H3;4*1-4H;2-4H,1H3;3*2-4H,1H3;2*1-4H,(H2,6,7);3*1-5H;1-3H,(H2,5,6,7);2*1-4H;3*2-3H,1H3;1-4H;3*1-3H.

What are the key properties of 3-chloropyridine;bis(2-fluoropyridine);3-fluoropyridine;2-methoxypyrimidine;tris(2-methylpyrazine);2-methylpyridine;bis(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;pyrazine;bis(pyridin-2-amine);tris(pyridine);pyrimidin-2-amine;pyrimidine;tris(1,3-thiazole);thiophene;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine?

3-chloropyridine;bis(2-fluoropyridine);3-fluoropyridine;2-methoxypyrimidine;tris(2-methylpyrazine);2-methylpyridine;bis(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;pyrazine;bis(pyridin-2-amine);tris(pyridine);pyrimidin-2-amine;pyrimidine;tris(1,3-thiazole);thiophene;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine has a molecular weight of 2781.84 g/mol, XLogP of 33.11, 1 rotatable bonds, 3 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloropyridine;bis(2-fluoropyridine);3-fluoropyridine;2-methoxypyrimidine;tris(2-methylpyrazine);2-methylpyridine;bis(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;pyrazine;bis(pyridin-2-amine);tris(pyridine);pyrimidin-2-amine;pyrimidine;tris(1,3-thiazole);thiophene;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine is sourced from PubChem (CID 159189621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).