4-chloro-2-(5-chloro-2-fluorophenyl)-5-ethenylpyridine;1-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]ethanol;(5-chloro-2-fluorophenyl)boronic acid;4,6-dichloropyridine-3-carbaldehyde;1-(4,6-dichloro-3-pyridinyl)ethanol;(4,6-dichloro-3-pyridinyl)methanol;methyl 4,6-dichloropyridine-3-carboxylate

C58H43BCl13F3N6O8 — CID 157126713

About 4-chloro-2-(5-chloro-2-fluorophenyl)-5-ethenylpyridine;1-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]ethanol;(5-chloro-2-fluorophenyl)boronic acid;4,6-dichloropyridine-3-carbaldehyde;1-(4,6-dichloro-3-pyridinyl)ethanol;(4,6-dichloro-3-pyridinyl)methanol;methyl 4,6-dichloropyridine-3-carboxylate

4-chloro-2-(5-chloro-2-fluorophenyl)-5-ethenylpyridine;1-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]ethanol;(5-chloro-2-fluorophenyl)boronic acid;4,6-dichloropyridine-3-carbaldehyde;1-(4,6-dichloro-3-pyridinyl)ethanol;(4,6-dichloro-3-pyridinyl)methanol;methyl 4,6-dichloropyridine-3-carboxylate (PubChem CID 157126713) has the molecular formula C58H43BCl13F3N6O8 and a molecular weight of 1480.71 g/mol. Its IUPAC name is 4-chloro-2-(5-chloro-2-fluorophenyl)-5-ethenylpyridine;1-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]ethanol;(5-chloro-2-fluorophenyl)boronic acid;4,6-dichloropyridine-3-carbaldehyde;1-(4,6-dichloro-3-pyridinyl)ethanol;(4,6-dichloro-3-pyridinyl)methanol;methyl 4,6-dichloropyridine-3-carboxylate.

Molecular Properties

• Compound Name: 4-chloro-2-(5-chloro-2-fluorophenyl)-5-ethenylpyridine;1-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]ethanol;(5-chloro-2-fluorophenyl)boronic acid;4,6-dichloropyridine-3-carbaldehyde;1-(4,6-dichloro-3-pyridinyl)ethanol;(4,6-dichloro-3-pyridinyl)methanol;methyl 4,6-dichloropyridine-3-carboxylate
• PubChem CID: 157126713
• Molecular Formula: C58H43BCl13F3N6O8
• Molecular Weight: 1480.71 g/mol
• Exact Mass: 1473.91
• IUPAC Name: 4-chloro-2-(5-chloro-2-fluorophenyl)-5-ethenylpyridine;1-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]ethanol;(5-chloro-2-fluorophenyl)boronic acid;4,6-dichloropyridine-3-carbaldehyde;1-(4,6-dichloro-3-pyridinyl)ethanol;(4,6-dichloro-3-pyridinyl)methanol;methyl 4,6-dichloropyridine-3-carboxylate
• SMILES: C=Cc1cnc(-c2cc(Cl)ccc2F)cc1Cl.CC(O)c1cnc(-c2cc(Cl)ccc2F)cc1Cl.CC(O)c1cnc(Cl)cc1Cl.COC(=O)c1cnc(Cl)cc1Cl.O=Cc1cnc(Cl)cc1Cl.OB(O)c1cc(Cl)ccc1F.OCc1cnc(Cl)cc1Cl
• InChI: InChI=1S/C13H10Cl2FNO.C13H8Cl2FN.C7H5Cl2NO2.C7H7Cl2NO.C6H5BClFO2.C6H5Cl2NO.C6H3Cl2NO/c1-7(18)10-6-17-13(5-11(10)15)9-4-8(14)2-3-12(9)16;1-2-8-7-17-13(6-11(8)15)10-5-9(14)3-4-12(10)16;1-12-7(11)4-3-10-6(9)2-5(4)8;1-4(11)5-3-10-7(9)2-6(5)8;8-4-1-2-6(9)5(3-4)7(10)11;2*7-5-1-6(8)9-2-4(5)3-10/h2-7,18H,1H3;2-7H,1H2;2-3H,1H3;2-4,11H,1H3;1-3,10-11H;1-2,10H,3H2;1-3H
• InChIKey: AIOXTNWPBVDHEV-UHFFFAOYSA-N
• XLogP: 17.94
• TPSA: 221.86 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1480.71
LogP ≤ 5	17.94
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(5-chloro-2-fluorophenyl)-5-ethenylpyridine;1-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]ethanol;(5-chloro-2-fluorophenyl)boronic acid;4,6-dichloropyridine-3-carbaldehyde;1-(4,6-dichloro-3-pyridinyl)ethanol;(4,6-dichloro-3-pyridinyl)methanol;methyl 4,6-dichloropyridine-3-carboxylate?

The IUPAC name of 4-chloro-2-(5-chloro-2-fluorophenyl)-5-ethenylpyridine;1-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]ethanol;(5-chloro-2-fluorophenyl)boronic acid;4,6-dichloropyridine-3-carbaldehyde;1-(4,6-dichloro-3-pyridinyl)ethanol;(4,6-dichloro-3-pyridinyl)methanol;methyl 4,6-dichloropyridine-3-carboxylate (CID 157126713) is 4-chloro-2-(5-chloro-2-fluorophenyl)-5-ethenylpyridine;1-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]ethanol;(5-chloro-2-fluorophenyl)boronic acid;4,6-dichloropyridine-3-carbaldehyde;1-(4,6-dichloro-3-pyridinyl)ethanol;(4,6-dichloro-3-pyridinyl)methanol;methyl 4,6-dichloropyridine-3-carboxylate.

What is the SMILES notation for 4-chloro-2-(5-chloro-2-fluorophenyl)-5-ethenylpyridine;1-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]ethanol;(5-chloro-2-fluorophenyl)boronic acid;4,6-dichloropyridine-3-carbaldehyde;1-(4,6-dichloro-3-pyridinyl)ethanol;(4,6-dichloro-3-pyridinyl)methanol;methyl 4,6-dichloropyridine-3-carboxylate?

The canonical SMILES for 4-chloro-2-(5-chloro-2-fluorophenyl)-5-ethenylpyridine;1-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]ethanol;(5-chloro-2-fluorophenyl)boronic acid;4,6-dichloropyridine-3-carbaldehyde;1-(4,6-dichloro-3-pyridinyl)ethanol;(4,6-dichloro-3-pyridinyl)methanol;methyl 4,6-dichloropyridine-3-carboxylate is C=Cc1cnc(-c2cc(Cl)ccc2F)cc1Cl.CC(O)c1cnc(-c2cc(Cl)ccc2F)cc1Cl.CC(O)c1cnc(Cl)cc1Cl.COC(=O)c1cnc(Cl)cc1Cl.O=Cc1cnc(Cl)cc1Cl.OB(O)c1cc(Cl)ccc1F.OCc1cnc(Cl)cc1Cl.

What is the InChIKey of 4-chloro-2-(5-chloro-2-fluorophenyl)-5-ethenylpyridine;1-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]ethanol;(5-chloro-2-fluorophenyl)boronic acid;4,6-dichloropyridine-3-carbaldehyde;1-(4,6-dichloro-3-pyridinyl)ethanol;(4,6-dichloro-3-pyridinyl)methanol;methyl 4,6-dichloropyridine-3-carboxylate?

The InChIKey is AIOXTNWPBVDHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FNO.C13H8Cl2FN.C7H5Cl2NO2.C7H7Cl2NO.C6H5BClFO2.C6H5Cl2NO.C6H3Cl2NO/c1-7(18)10-6-17-13(5-11(10)15)9-4-8(14)2-3-12(9)16;1-2-8-7-17-13(6-11(8)15)10-5-9(14)3-4-12(10)16;1-12-7(11)4-3-10-6(9)2-5(4)8;1-4(11)5-3-10-7(9)2-6(5)8;8-4-1-2-6(9)5(3-4)7(10)11;2*7-5-1-6(8)9-2-4(5)3-10/h2-7,18H,1H3;2-7H,1H2;2-3H,1H3;2-4,11H,1H3;1-3,10-11H;1-2,10H,3H2;1-3H.

What are the key properties of 4-chloro-2-(5-chloro-2-fluorophenyl)-5-ethenylpyridine;1-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]ethanol;(5-chloro-2-fluorophenyl)boronic acid;4,6-dichloropyridine-3-carbaldehyde;1-(4,6-dichloro-3-pyridinyl)ethanol;(4,6-dichloro-3-pyridinyl)methanol;methyl 4,6-dichloropyridine-3-carboxylate?

4-chloro-2-(5-chloro-2-fluorophenyl)-5-ethenylpyridine;1-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]ethanol;(5-chloro-2-fluorophenyl)boronic acid;4,6-dichloropyridine-3-carbaldehyde;1-(4,6-dichloro-3-pyridinyl)ethanol;(4,6-dichloro-3-pyridinyl)methanol;methyl 4,6-dichloropyridine-3-carboxylate has a molecular weight of 1480.71 g/mol, XLogP of 17.94, 9 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-2-(5-chloro-2-fluorophenyl)-5-ethenylpyridine;1-[4-chloro-6-(5-chloro-2-fluorophenyl)-3-pyridinyl]ethanol;(5-chloro-2-fluorophenyl)boronic acid;4,6-dichloropyridine-3-carbaldehyde;1-(4,6-dichloro-3-pyridinyl)ethanol;(4,6-dichloro-3-pyridinyl)methanol;methyl 4,6-dichloropyridine-3-carboxylate is sourced from PubChem (CID 157126713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).