4-(3,6-dichloro-2-fluorophenyl)pyridine

C11H6Cl2FN — CID 102233981

IUPAC4-(3,6-dichloro-2-fluorophenyl)pyridine
SMILESFc1c(Cl)ccc(Cl)c1-c1ccncc1
InChIInChI=1S/C11H6Cl2FN/c12-8-1-2-9(13)11(14)10(8)7-3-5-15-6-4-7/h1-6H
InChIKeyUURHRUGCILXSNQ-UHFFFAOYSA-N
MW242.08 g/mol
LogP4.19
Rot. Bonds1

About 4-(3,6-dichloro-2-fluorophenyl)pyridine

4-(3,6-dichloro-2-fluorophenyl)pyridine (PubChem CID 102233981) has the molecular formula C11H6Cl2FN and a molecular weight of 242.08 g/mol. Its IUPAC name is 4-(3,6-dichloro-2-fluorophenyl)pyridine.

Molecular Properties

Compound Name4-(3,6-dichloro-2-fluorophenyl)pyridine
PubChem CID102233981
Molecular FormulaC11H6Cl2FN
Molecular Weight242.08 g/mol
Exact Mass240.99
IUPAC Name4-(3,6-dichloro-2-fluorophenyl)pyridine
SMILESFc1c(Cl)ccc(Cl)c1-c1ccncc1
InChIInChI=1S/C11H6Cl2FN/c12-8-1-2-9(13)11(14)10(8)7-3-5-15-6-4-7/h1-6H
InChIKeyUURHRUGCILXSNQ-UHFFFAOYSA-N
XLogP4.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.08
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3,6-dichloro-2-fluorophenyl)pyridine?
The IUPAC name of 4-(3,6-dichloro-2-fluorophenyl)pyridine (CID 102233981) is 4-(3,6-dichloro-2-fluorophenyl)pyridine.
What is the SMILES notation for 4-(3,6-dichloro-2-fluorophenyl)pyridine?
The canonical SMILES for 4-(3,6-dichloro-2-fluorophenyl)pyridine is Fc1c(Cl)ccc(Cl)c1-c1ccncc1.
What is the InChIKey of 4-(3,6-dichloro-2-fluorophenyl)pyridine?
The InChIKey is UURHRUGCILXSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2FN/c12-8-1-2-9(13)11(14)10(8)7-3-5-15-6-4-7/h1-6H.
What are the key properties of 4-(3,6-dichloro-2-fluorophenyl)pyridine?
4-(3,6-dichloro-2-fluorophenyl)pyridine has a molecular weight of 242.08 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-dichloro-2-fluorophenyl)pyridine is sourced from PubChem (CID 102233981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).