2,4-dichloro-3-(2-chloro-6-fluorophenyl)-6-pyridin-2-ylpyridine

C16H8Cl3FN2 — CID 59007746

IUPAC2,4-dichloro-3-(2-chloro-6-fluorophenyl)-6-pyridin-2-ylpyridine
SMILESFc1cccc(Cl)c1-c1c(Cl)cc(-c2ccccn2)nc1Cl
InChIInChI=1S/C16H8Cl3FN2/c17-9-4-3-5-11(20)14(9)15-10(18)8-13(22-16(15)19)12-6-1-2-7-21-12/h1-8H
InChIKeyICFGEZYWUZIPDD-UHFFFAOYSA-N
MW353.61 g/mol
LogP5.91
Rot. Bonds2

About 2,4-dichloro-3-(2-chloro-6-fluorophenyl)-6-pyridin-2-ylpyridine

2,4-dichloro-3-(2-chloro-6-fluorophenyl)-6-pyridin-2-ylpyridine (PubChem CID 59007746) has the molecular formula C16H8Cl3FN2 and a molecular weight of 353.61 g/mol. Its IUPAC name is 2,4-dichloro-3-(2-chloro-6-fluorophenyl)-6-pyridin-2-ylpyridine.

Molecular Properties

Compound Name2,4-dichloro-3-(2-chloro-6-fluorophenyl)-6-pyridin-2-ylpyridine
PubChem CID59007746
Molecular FormulaC16H8Cl3FN2
Molecular Weight353.61 g/mol
Exact Mass351.97
IUPAC Name2,4-dichloro-3-(2-chloro-6-fluorophenyl)-6-pyridin-2-ylpyridine
SMILESFc1cccc(Cl)c1-c1c(Cl)cc(-c2ccccn2)nc1Cl
InChIInChI=1S/C16H8Cl3FN2/c17-9-4-3-5-11(20)14(9)15-10(18)8-13(22-16(15)19)12-6-1-2-7-21-12/h1-8H
InChIKeyICFGEZYWUZIPDD-UHFFFAOYSA-N
XLogP5.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.61
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-(2-chloro-6-fluorophenyl)-6-pyridin-2-ylpyridine?
The IUPAC name of 2,4-dichloro-3-(2-chloro-6-fluorophenyl)-6-pyridin-2-ylpyridine (CID 59007746) is 2,4-dichloro-3-(2-chloro-6-fluorophenyl)-6-pyridin-2-ylpyridine.
What is the SMILES notation for 2,4-dichloro-3-(2-chloro-6-fluorophenyl)-6-pyridin-2-ylpyridine?
The canonical SMILES for 2,4-dichloro-3-(2-chloro-6-fluorophenyl)-6-pyridin-2-ylpyridine is Fc1cccc(Cl)c1-c1c(Cl)cc(-c2ccccn2)nc1Cl.
What is the InChIKey of 2,4-dichloro-3-(2-chloro-6-fluorophenyl)-6-pyridin-2-ylpyridine?
The InChIKey is ICFGEZYWUZIPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl3FN2/c17-9-4-3-5-11(20)14(9)15-10(18)8-13(22-16(15)19)12-6-1-2-7-21-12/h1-8H.
What are the key properties of 2,4-dichloro-3-(2-chloro-6-fluorophenyl)-6-pyridin-2-ylpyridine?
2,4-dichloro-3-(2-chloro-6-fluorophenyl)-6-pyridin-2-ylpyridine has a molecular weight of 353.61 g/mol, XLogP of 5.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-(2-chloro-6-fluorophenyl)-6-pyridin-2-ylpyridine is sourced from PubChem (CID 59007746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).