2-chloro-6-(4-fluorophenyl)pyridine-4-carbaldehyde;1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]ethanol;[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]methanol;methyl 2-chloro-6-(4-fluorophenyl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate

C57H41Cl6F4N5O7 — CID 158644802

About 2-chloro-6-(4-fluorophenyl)pyridine-4-carbaldehyde;1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]ethanol;[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]methanol;methyl 2-chloro-6-(4-fluorophenyl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate

2-chloro-6-(4-fluorophenyl)pyridine-4-carbaldehyde;1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]ethanol;[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]methanol;methyl 2-chloro-6-(4-fluorophenyl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate (PubChem CID 158644802) has the molecular formula C57H41Cl6F4N5O7 and a molecular weight of 1196.69 g/mol. Its IUPAC name is 2-chloro-6-(4-fluorophenyl)pyridine-4-carbaldehyde;1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]ethanol;[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]methanol;methyl 2-chloro-6-(4-fluorophenyl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate.

Molecular Properties

• Compound Name: 2-chloro-6-(4-fluorophenyl)pyridine-4-carbaldehyde;1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]ethanol;[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]methanol;methyl 2-chloro-6-(4-fluorophenyl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate
• PubChem CID: 158644802
• Molecular Formula: C57H41Cl6F4N5O7
• Molecular Weight: 1196.69 g/mol
• Exact Mass: 1193.11
• IUPAC Name: 2-chloro-6-(4-fluorophenyl)pyridine-4-carbaldehyde;1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]ethanol;[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]methanol;methyl 2-chloro-6-(4-fluorophenyl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate
• SMILES: CC(O)c1cc(Cl)nc(-c2ccc(F)cc2)c1.COC(=O)c1cc(Cl)nc(-c2ccc(F)cc2)c1.COC(=O)c1cc(Cl)nc(Cl)c1.O=Cc1cc(Cl)nc(-c2ccc(F)cc2)c1.OCc1cc(Cl)nc(-c2ccc(F)cc2)c1
• InChI: InChI=1S/C13H9ClFNO2.C13H11ClFNO.C12H9ClFNO.C12H7ClFNO.C7H5Cl2NO2/c1-18-13(17)9-6-11(16-12(14)7-9)8-2-4-10(15)5-3-8;1-8(17)10-6-12(16-13(14)7-10)9-2-4-11(15)5-3-9;2*13-12-6-8(7-16)5-11(15-12)9-1-3-10(14)4-2-9;1-12-7(11)4-2-5(8)10-6(9)3-4/h2-7H,1H3;2-8,17H,1H3;1-6,16H,7H2;1-7H;2-3H,1H3
• InChIKey: IAVGFIGLKHMKSH-UHFFFAOYSA-N
• XLogP: 15.48
• TPSA: 174.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1196.69
LogP ≤ 5	15.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4-fluorophenyl)pyridine-4-carbaldehyde;1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]ethanol;[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]methanol;methyl 2-chloro-6-(4-fluorophenyl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate?

The IUPAC name of 2-chloro-6-(4-fluorophenyl)pyridine-4-carbaldehyde;1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]ethanol;[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]methanol;methyl 2-chloro-6-(4-fluorophenyl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate (CID 158644802) is 2-chloro-6-(4-fluorophenyl)pyridine-4-carbaldehyde;1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]ethanol;[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]methanol;methyl 2-chloro-6-(4-fluorophenyl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate.

What is the SMILES notation for 2-chloro-6-(4-fluorophenyl)pyridine-4-carbaldehyde;1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]ethanol;[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]methanol;methyl 2-chloro-6-(4-fluorophenyl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate?

The canonical SMILES for 2-chloro-6-(4-fluorophenyl)pyridine-4-carbaldehyde;1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]ethanol;[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]methanol;methyl 2-chloro-6-(4-fluorophenyl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate is CC(O)c1cc(Cl)nc(-c2ccc(F)cc2)c1.COC(=O)c1cc(Cl)nc(-c2ccc(F)cc2)c1.COC(=O)c1cc(Cl)nc(Cl)c1.O=Cc1cc(Cl)nc(-c2ccc(F)cc2)c1.OCc1cc(Cl)nc(-c2ccc(F)cc2)c1.

What is the InChIKey of 2-chloro-6-(4-fluorophenyl)pyridine-4-carbaldehyde;1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]ethanol;[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]methanol;methyl 2-chloro-6-(4-fluorophenyl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate?

The InChIKey is IAVGFIGLKHMKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO2.C13H11ClFNO.C12H9ClFNO.C12H7ClFNO.C7H5Cl2NO2/c1-18-13(17)9-6-11(16-12(14)7-9)8-2-4-10(15)5-3-8;1-8(17)10-6-12(16-13(14)7-10)9-2-4-11(15)5-3-9;2*13-12-6-8(7-16)5-11(15-12)9-1-3-10(14)4-2-9;1-12-7(11)4-2-5(8)10-6(9)3-4/h2-7H,1H3;2-8,17H,1H3;1-6,16H,7H2;1-7H;2-3H,1H3.

What are the key properties of 2-chloro-6-(4-fluorophenyl)pyridine-4-carbaldehyde;1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]ethanol;[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]methanol;methyl 2-chloro-6-(4-fluorophenyl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate?

2-chloro-6-(4-fluorophenyl)pyridine-4-carbaldehyde;1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]ethanol;[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]methanol;methyl 2-chloro-6-(4-fluorophenyl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate has a molecular weight of 1196.69 g/mol, XLogP of 15.48, 9 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-6-(4-fluorophenyl)pyridine-4-carbaldehyde;1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]ethanol;[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]methanol;methyl 2-chloro-6-(4-fluorophenyl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate is sourced from PubChem (CID 158644802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).