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

C22H21F2N — CID 19765751

IUPAC2,6-difluoro-3-[2-[4-(4-propylphenyl)phenyl]ethyl]pyridine
SMILESCCCc1ccc(-c2ccc(CCc3ccc(F)nc3F)cc2)cc1
InChIInChI=1S/C22H21F2N/c1-2-3-16-4-9-18(10-5-16)19-11-6-17(7-12-19)8-13-20-14-15-21(23)25-22(20)24/h4-7,9-12,14-15H,2-3,8,13H2,1H3
InChIKeyNQZYDTRWUVPIGF-UHFFFAOYSA-N
MW337.41 g/mol
LogP5.76
Rot. Bonds6

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

2,6-difluoro-3-[2-[4-(4-propylphenyl)phenyl]ethyl]pyridine (PubChem CID 19765751) has the molecular formula C22H21F2N and a molecular weight of 337.41 g/mol. Its IUPAC name is 2,6-difluoro-3-[2-[4-(4-propylphenyl)phenyl]ethyl]pyridine.

Molecular Properties

Compound Name2,6-difluoro-3-[2-[4-(4-propylphenyl)phenyl]ethyl]pyridine
PubChem CID19765751
Molecular FormulaC22H21F2N
Molecular Weight337.41 g/mol
Exact Mass337.16
IUPAC Name2,6-difluoro-3-[2-[4-(4-propylphenyl)phenyl]ethyl]pyridine
SMILESCCCc1ccc(-c2ccc(CCc3ccc(F)nc3F)cc2)cc1
InChIInChI=1S/C22H21F2N/c1-2-3-16-4-9-18(10-5-16)19-11-6-17(7-12-19)8-13-20-14-15-21(23)25-22(20)24/h4-7,9-12,14-15H,2-3,8,13H2,1H3
InChIKeyNQZYDTRWUVPIGF-UHFFFAOYSA-N
XLogP5.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.41
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,6-difluoro-3-[2-[4-(4-propylphenyl)phenyl]ethyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-[2-[4-(4-propylphenyl)phenyl]ethyl]pyridine?
The IUPAC name of 2,6-difluoro-3-[2-[4-(4-propylphenyl)phenyl]ethyl]pyridine (CID 19765751) is 2,6-difluoro-3-[2-[4-(4-propylphenyl)phenyl]ethyl]pyridine.
What is the SMILES notation for 2,6-difluoro-3-[2-[4-(4-propylphenyl)phenyl]ethyl]pyridine?
The canonical SMILES for 2,6-difluoro-3-[2-[4-(4-propylphenyl)phenyl]ethyl]pyridine is CCCc1ccc(-c2ccc(CCc3ccc(F)nc3F)cc2)cc1.
What is the InChIKey of 2,6-difluoro-3-[2-[4-(4-propylphenyl)phenyl]ethyl]pyridine?
The InChIKey is NQZYDTRWUVPIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N/c1-2-3-16-4-9-18(10-5-16)19-11-6-17(7-12-19)8-13-20-14-15-21(23)25-22(20)24/h4-7,9-12,14-15H,2-3,8,13H2,1H3.
What are the key properties of 2,6-difluoro-3-[2-[4-(4-propylphenyl)phenyl]ethyl]pyridine?
2,6-difluoro-3-[2-[4-(4-propylphenyl)phenyl]ethyl]pyridine has a molecular weight of 337.41 g/mol, XLogP of 5.76, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-[2-[4-(4-propylphenyl)phenyl]ethyl]pyridine is sourced from PubChem (CID 19765751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).