2-[2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]phenyl]ethyl]-5-methylpyridine

C26H19F2N — CID 139858206

IUPAC2-[2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]phenyl]ethyl]-5-methylpyridine
SMILESCc1ccc(CCc2ccc(C#Cc3ccc4c(F)c(F)ccc4c3)cc2)nc1
InChIInChI=1S/C26H19F2N/c1-18-2-12-23(29-17-18)13-9-20-5-3-19(4-6-20)7-8-21-10-14-24-22(16-21)11-15-25(27)26(24)28/h2-6,10-12,14-17H,9,13H2,1H3
InChIKeyIYQDMHSDWZNNBW-UHFFFAOYSA-N
MW383.44 g/mol
LogP6.01
Rot. Bonds3

About 2-[2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]phenyl]ethyl]-5-methylpyridine

2-[2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]phenyl]ethyl]-5-methylpyridine (PubChem CID 139858206) has the molecular formula C26H19F2N and a molecular weight of 383.44 g/mol. Its IUPAC name is 2-[2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]phenyl]ethyl]-5-methylpyridine.

Molecular Properties

Compound Name2-[2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]phenyl]ethyl]-5-methylpyridine
PubChem CID139858206
Molecular FormulaC26H19F2N
Molecular Weight383.44 g/mol
Exact Mass383.15
IUPAC Name2-[2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]phenyl]ethyl]-5-methylpyridine
SMILESCc1ccc(CCc2ccc(C#Cc3ccc4c(F)c(F)ccc4c3)cc2)nc1
InChIInChI=1S/C26H19F2N/c1-18-2-12-23(29-17-18)13-9-20-5-3-19(4-6-20)7-8-21-10-14-24-22(16-21)11-15-25(27)26(24)28/h2-6,10-12,14-17H,9,13H2,1H3
InChIKeyIYQDMHSDWZNNBW-UHFFFAOYSA-N
XLogP6.01
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.44
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]phenyl]ethyl]-5-methylpyridine 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

2-[2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]phenyl]ethyl]-5-methylpyrimidine
CID 139859286
2-[2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]-3-fluorophenyl]ethyl]-5-ethoxypyridine
CID 139857957
5-pentyl-2-[2-[4-[2-(5,6,7-trifluoronaphthalen-2-yl)ethynyl]phenyl]ethyl]pyridine
CID 139858367
5-(2-methoxyethyl)-2-[2-[4-[2-(5,6,7-trifluoronaphthalen-2-yl)ethynyl]phenyl]ethyl]pyridine
CID 139857673
1,2-difluoro-6-[2-[4-[2-[4-[(E)-pent-3-enyl]phenyl]ethyl]phenyl]ethynyl]naphthalene
CID 139857984
5-(3-methoxypropyl)-2-[2-[4-[2-(5,6,7-trifluoronaphthalen-2-yl)ethynyl]phenyl]ethyl]pyridine
CID 139858373
6-[2-(4-ethylphenyl)ethynyl]-1-fluoro-2-[2-(4-methylphenyl)ethyl]naphthalene
CID 139876364
2,3-difluoro-6-[2-[4-[2-(4-methylphenyl)ethyl]phenyl]ethynyl]naphthalene
CID 139858376
2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]phenyl]-5-(2-methoxyethyl)pyridine
CID 139857708
2-[2-[4-[2-(6,7-difluoronaphthalen-2-yl)ethynyl]phenyl]ethyl]-5-(3-methoxypropyl)pyridine
CID 139858515
6-[2-[4-[2-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]ethyl]phenyl]ethynyl]-1,2-difluoronaphthalene
CID 139856788
2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]phenyl]-5-(methoxymethyl)pyridine
CID 139859162

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]phenyl]ethyl]-5-methylpyridine?
The IUPAC name of 2-[2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]phenyl]ethyl]-5-methylpyridine (CID 139858206) is 2-[2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]phenyl]ethyl]-5-methylpyridine.
What is the SMILES notation for 2-[2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]phenyl]ethyl]-5-methylpyridine?
The canonical SMILES for 2-[2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]phenyl]ethyl]-5-methylpyridine is Cc1ccc(CCc2ccc(C#Cc3ccc4c(F)c(F)ccc4c3)cc2)nc1.
What is the InChIKey of 2-[2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]phenyl]ethyl]-5-methylpyridine?
The InChIKey is IYQDMHSDWZNNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2N/c1-18-2-12-23(29-17-18)13-9-20-5-3-19(4-6-20)7-8-21-10-14-24-22(16-21)11-15-25(27)26(24)28/h2-6,10-12,14-17H,9,13H2,1H3.
What are the key properties of 2-[2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]phenyl]ethyl]-5-methylpyridine?
2-[2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]phenyl]ethyl]-5-methylpyridine has a molecular weight of 383.44 g/mol, XLogP of 6.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]phenyl]ethyl]-5-methylpyridine is sourced from PubChem (CID 139858206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).