2,6-difluoro-3-(4-phenyl-1-propylcyclohexa-2,5-dien-1-yl)pyridine

C20H19F2N — CID 173372509

IUPAC2,6-difluoro-3-(4-phenyl-1-propylcyclohexa-2,5-dien-1-yl)pyridine
SMILESCCCC1(c2ccc(F)nc2F)C=CC(c2ccccc2)C=C1
InChIInChI=1S/C20H19F2N/c1-2-12-20(17-8-9-18(21)23-19(17)22)13-10-16(11-14-20)15-6-4-3-5-7-15/h3-11,13-14,16H,2,12H2,1H3
InChIKeyCNTXDQQLZUHVCE-UHFFFAOYSA-N
MW311.38 g/mol
LogP5.31
Rot. Bonds4

About 2,6-difluoro-3-(4-phenyl-1-propylcyclohexa-2,5-dien-1-yl)pyridine

2,6-difluoro-3-(4-phenyl-1-propylcyclohexa-2,5-dien-1-yl)pyridine (PubChem CID 173372509) has the molecular formula C20H19F2N and a molecular weight of 311.38 g/mol. Its IUPAC name is 2,6-difluoro-3-(4-phenyl-1-propylcyclohexa-2,5-dien-1-yl)pyridine.

Molecular Properties

Compound Name2,6-difluoro-3-(4-phenyl-1-propylcyclohexa-2,5-dien-1-yl)pyridine
PubChem CID173372509
Molecular FormulaC20H19F2N
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name2,6-difluoro-3-(4-phenyl-1-propylcyclohexa-2,5-dien-1-yl)pyridine
SMILESCCCC1(c2ccc(F)nc2F)C=CC(c2ccccc2)C=C1
InChIInChI=1S/C20H19F2N/c1-2-12-20(17-8-9-18(21)23-19(17)22)13-10-16(11-14-20)15-6-4-3-5-7-15/h3-11,13-14,16H,2,12H2,1H3
InChIKeyCNTXDQQLZUHVCE-UHFFFAOYSA-N
XLogP5.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.38
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,6-difluoro-3-(4-phenyl-1-propylcyclohexa-2,5-dien-1-yl)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-(4-phenyl-1-propylcyclohexa-2,5-dien-1-yl)pyridine?
The IUPAC name of 2,6-difluoro-3-(4-phenyl-1-propylcyclohexa-2,5-dien-1-yl)pyridine (CID 173372509) is 2,6-difluoro-3-(4-phenyl-1-propylcyclohexa-2,5-dien-1-yl)pyridine.
What is the SMILES notation for 2,6-difluoro-3-(4-phenyl-1-propylcyclohexa-2,5-dien-1-yl)pyridine?
The canonical SMILES for 2,6-difluoro-3-(4-phenyl-1-propylcyclohexa-2,5-dien-1-yl)pyridine is CCCC1(c2ccc(F)nc2F)C=CC(c2ccccc2)C=C1.
What is the InChIKey of 2,6-difluoro-3-(4-phenyl-1-propylcyclohexa-2,5-dien-1-yl)pyridine?
The InChIKey is CNTXDQQLZUHVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N/c1-2-12-20(17-8-9-18(21)23-19(17)22)13-10-16(11-14-20)15-6-4-3-5-7-15/h3-11,13-14,16H,2,12H2,1H3.
What are the key properties of 2,6-difluoro-3-(4-phenyl-1-propylcyclohexa-2,5-dien-1-yl)pyridine?
2,6-difluoro-3-(4-phenyl-1-propylcyclohexa-2,5-dien-1-yl)pyridine has a molecular weight of 311.38 g/mol, XLogP of 5.31, 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-phenyl-1-propylcyclohexa-2,5-dien-1-yl)pyridine is sourced from PubChem (CID 173372509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).