2,6-difluoro-3-[4-(4-propylphenyl)phenyl]pyridine

C20H17F2N — CID 19765339

IUPAC2,6-difluoro-3-[4-(4-propylphenyl)phenyl]pyridine
SMILESCCCc1ccc(-c2ccc(-c3ccc(F)nc3F)cc2)cc1
InChIInChI=1S/C20H17F2N/c1-2-3-14-4-6-15(7-5-14)16-8-10-17(11-9-16)18-12-13-19(21)23-20(18)22/h4-13H,2-3H2,1H3
InChIKeySHFRCDZIENNOQP-UHFFFAOYSA-N
MW309.36 g/mol
LogP5.65
Rot. Bonds4

About 2,6-difluoro-3-[4-(4-propylphenyl)phenyl]pyridine

2,6-difluoro-3-[4-(4-propylphenyl)phenyl]pyridine (PubChem CID 19765339) has the molecular formula C20H17F2N and a molecular weight of 309.36 g/mol. Its IUPAC name is 2,6-difluoro-3-[4-(4-propylphenyl)phenyl]pyridine.

Molecular Properties

Compound Name2,6-difluoro-3-[4-(4-propylphenyl)phenyl]pyridine
PubChem CID19765339
Molecular FormulaC20H17F2N
Molecular Weight309.36 g/mol
Exact Mass309.13
IUPAC Name2,6-difluoro-3-[4-(4-propylphenyl)phenyl]pyridine
SMILESCCCc1ccc(-c2ccc(-c3ccc(F)nc3F)cc2)cc1
InChIInChI=1S/C20H17F2N/c1-2-3-14-4-6-15(7-5-14)16-8-10-17(11-9-16)18-12-13-19(21)23-20(18)22/h4-13H,2-3H2,1H3
InChIKeySHFRCDZIENNOQP-UHFFFAOYSA-N
XLogP5.65
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.36
LogP ≤ 55.65
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 2,6-difluoro-3-[4-(4-propylphenyl)phenyl]pyridine?
The IUPAC name of 2,6-difluoro-3-[4-(4-propylphenyl)phenyl]pyridine (CID 19765339) is 2,6-difluoro-3-[4-(4-propylphenyl)phenyl]pyridine.
What is the SMILES notation for 2,6-difluoro-3-[4-(4-propylphenyl)phenyl]pyridine?
The canonical SMILES for 2,6-difluoro-3-[4-(4-propylphenyl)phenyl]pyridine is CCCc1ccc(-c2ccc(-c3ccc(F)nc3F)cc2)cc1.
What is the InChIKey of 2,6-difluoro-3-[4-(4-propylphenyl)phenyl]pyridine?
The InChIKey is SHFRCDZIENNOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N/c1-2-3-14-4-6-15(7-5-14)16-8-10-17(11-9-16)18-12-13-19(21)23-20(18)22/h4-13H,2-3H2,1H3.
What are the key properties of 2,6-difluoro-3-[4-(4-propylphenyl)phenyl]pyridine?
2,6-difluoro-3-[4-(4-propylphenyl)phenyl]pyridine has a molecular weight of 309.36 g/mol, XLogP of 5.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-[4-(4-propylphenyl)phenyl]pyridine is sourced from PubChem (CID 19765339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).