2,3,5-trichloro-6-(3,4-difluorophenyl)pyridine

C11H4Cl3F2N — CID 102752544

IUPAC2,3,5-trichloro-6-(3,4-difluorophenyl)pyridine
SMILESFc1ccc(-c2nc(Cl)c(Cl)cc2Cl)cc1F
InChIInChI=1S/C11H4Cl3F2N/c12-6-4-7(13)11(14)17-10(6)5-1-2-8(15)9(16)3-5/h1-4H
InChIKeyPINZLRNDDWBOPO-UHFFFAOYSA-N
MW294.52 g/mol
LogP4.99
Rot. Bonds1

About 2,3,5-trichloro-6-(3,4-difluorophenyl)pyridine

2,3,5-trichloro-6-(3,4-difluorophenyl)pyridine (PubChem CID 102752544) has the molecular formula C11H4Cl3F2N and a molecular weight of 294.52 g/mol. Its IUPAC name is 2,3,5-trichloro-6-(3,4-difluorophenyl)pyridine.

Molecular Properties

Compound Name2,3,5-trichloro-6-(3,4-difluorophenyl)pyridine
PubChem CID102752544
Molecular FormulaC11H4Cl3F2N
Molecular Weight294.52 g/mol
Exact Mass292.94
IUPAC Name2,3,5-trichloro-6-(3,4-difluorophenyl)pyridine
SMILESFc1ccc(-c2nc(Cl)c(Cl)cc2Cl)cc1F
InChIInChI=1S/C11H4Cl3F2N/c12-6-4-7(13)11(14)17-10(6)5-1-2-8(15)9(16)3-5/h1-4H
InChIKeyPINZLRNDDWBOPO-UHFFFAOYSA-N
XLogP4.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.52
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2,3,5-trichloro-6-(3,4-difluorophenyl)pyridine?
The IUPAC name of 2,3,5-trichloro-6-(3,4-difluorophenyl)pyridine (CID 102752544) is 2,3,5-trichloro-6-(3,4-difluorophenyl)pyridine.
What is the SMILES notation for 2,3,5-trichloro-6-(3,4-difluorophenyl)pyridine?
The canonical SMILES for 2,3,5-trichloro-6-(3,4-difluorophenyl)pyridine is Fc1ccc(-c2nc(Cl)c(Cl)cc2Cl)cc1F.
What is the InChIKey of 2,3,5-trichloro-6-(3,4-difluorophenyl)pyridine?
The InChIKey is PINZLRNDDWBOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Cl3F2N/c12-6-4-7(13)11(14)17-10(6)5-1-2-8(15)9(16)3-5/h1-4H.
What are the key properties of 2,3,5-trichloro-6-(3,4-difluorophenyl)pyridine?
2,3,5-trichloro-6-(3,4-difluorophenyl)pyridine has a molecular weight of 294.52 g/mol, XLogP of 4.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trichloro-6-(3,4-difluorophenyl)pyridine is sourced from PubChem (CID 102752544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).