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

C22H23F2N — CID 19765437

IUPAC2,6-difluoro-3-[2-[4-(4-propylphenyl)cyclohexyl]ethynyl]pyridine
SMILESCCCc1ccc(C2CCC(C#Cc3ccc(F)nc3F)CC2)cc1
InChIInChI=1S/C22H23F2N/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/h4-5,9-10,14-15,17,19H,2-3,6-7,11-12H2,1H3
InChIKeyYTILMWSYQJXSRW-UHFFFAOYSA-N
MW339.43 g/mol
LogP5.64
Rot. Bonds3

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

2,6-difluoro-3-[2-[4-(4-propylphenyl)cyclohexyl]ethynyl]pyridine (PubChem CID 19765437) has the molecular formula C22H23F2N and a molecular weight of 339.43 g/mol. Its IUPAC name is 2,6-difluoro-3-[2-[4-(4-propylphenyl)cyclohexyl]ethynyl]pyridine.

Molecular Properties

Compound Name2,6-difluoro-3-[2-[4-(4-propylphenyl)cyclohexyl]ethynyl]pyridine
PubChem CID19765437
Molecular FormulaC22H23F2N
Molecular Weight339.43 g/mol
Exact Mass339.18
IUPAC Name2,6-difluoro-3-[2-[4-(4-propylphenyl)cyclohexyl]ethynyl]pyridine
SMILESCCCc1ccc(C2CCC(C#Cc3ccc(F)nc3F)CC2)cc1
InChIInChI=1S/C22H23F2N/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/h4-5,9-10,14-15,17,19H,2-3,6-7,11-12H2,1H3
InChIKeyYTILMWSYQJXSRW-UHFFFAOYSA-N
XLogP5.64
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.43
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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

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

Launch Full Analysis

Related Compounds

3-[2-[4-(4-butylphenyl)cyclohexyl]ethynyl]-2,6-difluoropyridine;2,6-difluoro-3-[2-[4-(4-propylphenyl)cyclohexyl]ethynyl]pyridine
CID 67924036
2,3,6-trifluoro-5-[2-[4-(4-hexylphenyl)cyclohexyl]ethynyl]pyridine
CID 23190534
3-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethynyl]-2,6-difluoropyridine
CID 19765466
1-octyl-4-[2-[4-(4-propylphenyl)cyclohexyl]ethynyl]benzene
CID 19984382
1-hexyl-4-[2-[4-(4-propylphenyl)cyclohexyl]ethynyl]benzene
CID 19984884
1-butyl-4-[4-[2-(4-propylphenyl)ethynyl]cyclohexyl]benzene;1-heptyl-4-[4-[2-(4-propylphenyl)ethynyl]cyclohexyl]benzene;1-hexyl-4-[4-[2-(4-propylphenyl)ethynyl]cyclohexyl]benzene;1-pentyl-4-[4-[2-(4-propylphenyl)ethynyl]cyclohexyl]benzene
CID 173394264
1-butyl-4-[2-[4-(4-butylphenyl)cyclohexyl]ethynyl]benzene
CID 19983873
2,6-difluoro-3-[2-[4-(4-propylphenyl)phenyl]ethynyl]pyridine;3-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-2,6-difluoropyridine
CID 67924025
6-[4-[2-(4-butyl-2-fluorophenyl)ethynyl]cyclohexyl]-2,3-difluoronaphthalene
CID 139846656
1-heptyl-4-[2-[4-(4-pentylphenyl)cyclohexyl]ethynyl]benzene
CID 19984134
1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene
CID 140788276
3-[2-(4-butylphenyl)ethynyl]-2,6-difluoropyridine
CID 19765720

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-[2-[4-(4-propylphenyl)cyclohexyl]ethynyl]pyridine?
The IUPAC name of 2,6-difluoro-3-[2-[4-(4-propylphenyl)cyclohexyl]ethynyl]pyridine (CID 19765437) is 2,6-difluoro-3-[2-[4-(4-propylphenyl)cyclohexyl]ethynyl]pyridine.
What is the SMILES notation for 2,6-difluoro-3-[2-[4-(4-propylphenyl)cyclohexyl]ethynyl]pyridine?
The canonical SMILES for 2,6-difluoro-3-[2-[4-(4-propylphenyl)cyclohexyl]ethynyl]pyridine is CCCc1ccc(C2CCC(C#Cc3ccc(F)nc3F)CC2)cc1.
What is the InChIKey of 2,6-difluoro-3-[2-[4-(4-propylphenyl)cyclohexyl]ethynyl]pyridine?
The InChIKey is YTILMWSYQJXSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N/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/h4-5,9-10,14-15,17,19H,2-3,6-7,11-12H2,1H3.
What are the key properties of 2,6-difluoro-3-[2-[4-(4-propylphenyl)cyclohexyl]ethynyl]pyridine?
2,6-difluoro-3-[2-[4-(4-propylphenyl)cyclohexyl]ethynyl]pyridine has a molecular weight of 339.43 g/mol, XLogP of 5.64, 3 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)cyclohexyl]ethynyl]pyridine is sourced from PubChem (CID 19765437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).