2-chloropyridine;3-chloropyridine;4-chloropyridine;N,N-dimethylpyridin-4-amine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;3-methoxypyridine;4-methoxypyridine;2-methylpyridine;3-methylpyridine;bis(4-methylpyridine);pyridine-2-carbonitrile;pyridine-3-carbonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine

C103H96Cl3F12N21O2 — CID 158657557

About 2-chloropyridine;3-chloropyridine;4-chloropyridine;N,N-dimethylpyridin-4-amine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;3-methoxypyridine;4-methoxypyridine;2-methylpyridine;3-methylpyridine;bis(4-methylpyridine);pyridine-2-carbonitrile;pyridine-3-carbonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine

2-chloropyridine;3-chloropyridine;4-chloropyridine;N,N-dimethylpyridin-4-amine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;3-methoxypyridine;4-methoxypyridine;2-methylpyridine;3-methylpyridine;bis(4-methylpyridine);pyridine-2-carbonitrile;pyridine-3-carbonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine (PubChem CID 158657557) has the molecular formula C103H96Cl3F12N21O2 and a molecular weight of 1994.38 g/mol. Its IUPAC name is 2-chloropyridine;3-chloropyridine;4-chloropyridine;N,N-dimethylpyridin-4-amine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;3-methoxypyridine;4-methoxypyridine;2-methylpyridine;3-methylpyridine;bis(4-methylpyridine);pyridine-2-carbonitrile;pyridine-3-carbonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine.

Molecular Properties

• Compound Name: 2-chloropyridine;3-chloropyridine;4-chloropyridine;N,N-dimethylpyridin-4-amine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;3-methoxypyridine;4-methoxypyridine;2-methylpyridine;3-methylpyridine;bis(4-methylpyridine);pyridine-2-carbonitrile;pyridine-3-carbonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine
• PubChem CID: 158657557
• Molecular Formula: C103H96Cl3F12N21O2
• Molecular Weight: 1994.38 g/mol
• Exact Mass: 1991.69
• IUPAC Name: 2-chloropyridine;3-chloropyridine;4-chloropyridine;N,N-dimethylpyridin-4-amine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;3-methoxypyridine;4-methoxypyridine;2-methylpyridine;3-methylpyridine;bis(4-methylpyridine);pyridine-2-carbonitrile;pyridine-3-carbonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine
• SMILES: CN(C)c1ccncc1.COc1cccnc1.COc1ccncc1.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1ccncc1.Clc1ccccn1.Clc1cccnc1.Clc1ccncc1.FC(F)(F)c1ccccn1.FC(F)(F)c1cccnc1.FC(F)(F)c1ccncc1.Fc1ccccn1.Fc1cccnc1.Fc1ccncc1.N#Cc1ccccn1.N#Cc1cccnc1
• InChI: InChI=1S/C7H10N2.3C6H4F3N.2C6H4N2.2C6H7NO.4C6H7N.3C5H4ClN.3C5H4FN/c1-9(2)7-3-5-8-6-4-7;7-6(8,9)5-1-3-10-4-2-5;7-6(8,9)5-2-1-3-10-4-5;7-6(8,9)5-3-1-2-4-10-5;7-4-6-2-1-3-8-5-6;7-5-6-3-1-2-4-8-6;1-8-6-2-4-7-5-3-6;1-8-6-3-2-4-7-5-6;2*1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;6-5-1-3-7-4-2-5;6-5-2-1-3-7-4-5;6-5-3-1-2-4-7-5;6-5-1-3-7-4-2-5;6-5-2-1-3-7-4-5;6-5-3-1-2-4-7-5/h3-6H,1-2H3;3*1-4H;1-3,5H;1-4H;2*2-5H,1H3;4*2-5H,1H3;6*1-4H
• InChIKey: ICIGZYGLFFHUEE-UHFFFAOYSA-N
• XLogP: 25.96
• TPSA: 301.30 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 3
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1994.38
LogP ≤ 5	25.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

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-chloropyridine;4-chloropyridine;N,N-dimethylpyridin-4-amine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;3-methoxypyridine;4-methoxypyridine;2-methylpyridine;3-methylpyridine;bis(4-methylpyridine);pyridine-2-carbonitrile;pyridine-3-carbonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine?

The IUPAC name of 2-chloropyridine;3-chloropyridine;4-chloropyridine;N,N-dimethylpyridin-4-amine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;3-methoxypyridine;4-methoxypyridine;2-methylpyridine;3-methylpyridine;bis(4-methylpyridine);pyridine-2-carbonitrile;pyridine-3-carbonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine (CID 158657557) is 2-chloropyridine;3-chloropyridine;4-chloropyridine;N,N-dimethylpyridin-4-amine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;3-methoxypyridine;4-methoxypyridine;2-methylpyridine;3-methylpyridine;bis(4-methylpyridine);pyridine-2-carbonitrile;pyridine-3-carbonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine.

What is the SMILES notation for 2-chloropyridine;3-chloropyridine;4-chloropyridine;N,N-dimethylpyridin-4-amine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;3-methoxypyridine;4-methoxypyridine;2-methylpyridine;3-methylpyridine;bis(4-methylpyridine);pyridine-2-carbonitrile;pyridine-3-carbonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine?

The canonical SMILES for 2-chloropyridine;3-chloropyridine;4-chloropyridine;N,N-dimethylpyridin-4-amine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;3-methoxypyridine;4-methoxypyridine;2-methylpyridine;3-methylpyridine;bis(4-methylpyridine);pyridine-2-carbonitrile;pyridine-3-carbonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine is CN(C)c1ccncc1.COc1cccnc1.COc1ccncc1.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1ccncc1.Clc1ccccn1.Clc1cccnc1.Clc1ccncc1.FC(F)(F)c1ccccn1.FC(F)(F)c1cccnc1.FC(F)(F)c1ccncc1.Fc1ccccn1.Fc1cccnc1.Fc1ccncc1.N#Cc1ccccn1.N#Cc1cccnc1.

What is the InChIKey of 2-chloropyridine;3-chloropyridine;4-chloropyridine;N,N-dimethylpyridin-4-amine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;3-methoxypyridine;4-methoxypyridine;2-methylpyridine;3-methylpyridine;bis(4-methylpyridine);pyridine-2-carbonitrile;pyridine-3-carbonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine?

The InChIKey is ICIGZYGLFFHUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2.3C6H4F3N.2C6H4N2.2C6H7NO.4C6H7N.3C5H4ClN.3C5H4FN/c1-9(2)7-3-5-8-6-4-7;7-6(8,9)5-1-3-10-4-2-5;7-6(8,9)5-2-1-3-10-4-5;7-6(8,9)5-3-1-2-4-10-5;7-4-6-2-1-3-8-5-6;7-5-6-3-1-2-4-8-6;1-8-6-2-4-7-5-3-6;1-8-6-3-2-4-7-5-6;2*1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;6-5-1-3-7-4-2-5;6-5-2-1-3-7-4-5;6-5-3-1-2-4-7-5;6-5-1-3-7-4-2-5;6-5-2-1-3-7-4-5;6-5-3-1-2-4-7-5/h3-6H,1-2H3;3*1-4H;1-3,5H;1-4H;2*2-5H,1H3;4*2-5H,1H3;6*1-4H.

What are the key properties of 2-chloropyridine;3-chloropyridine;4-chloropyridine;N,N-dimethylpyridin-4-amine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;3-methoxypyridine;4-methoxypyridine;2-methylpyridine;3-methylpyridine;bis(4-methylpyridine);pyridine-2-carbonitrile;pyridine-3-carbonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine?

2-chloropyridine;3-chloropyridine;4-chloropyridine;N,N-dimethylpyridin-4-amine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;3-methoxypyridine;4-methoxypyridine;2-methylpyridine;3-methylpyridine;bis(4-methylpyridine);pyridine-2-carbonitrile;pyridine-3-carbonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine has a molecular weight of 1994.38 g/mol, XLogP of 25.96, 3 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloropyridine;3-chloropyridine;4-chloropyridine;N,N-dimethylpyridin-4-amine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;3-methoxypyridine;4-methoxypyridine;2-methylpyridine;3-methylpyridine;bis(4-methylpyridine);pyridine-2-carbonitrile;pyridine-3-carbonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine is sourced from PubChem (CID 158657557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).