2-[4-[2-(6,7-difluoronaphthalen-2-yl)ethynyl]-3,5-difluorophenyl]-5-(methoxymethyl)pyridine

C25H15F4NO — CID 139859351

IUPAC2-[4-[2-(6,7-difluoronaphthalen-2-yl)ethynyl]-3,5-difluorophenyl]-5-(methoxymethyl)pyridine
SMILESCOCc1ccc(-c2cc(F)c(C#Cc3ccc4cc(F)c(F)cc4c3)c(F)c2)nc1
InChIInChI=1S/C25H15F4NO/c1-31-14-16-4-7-25(30-13-16)19-11-21(26)20(22(27)12-19)6-3-15-2-5-17-9-23(28)24(29)10-18(17)8-15/h2,4-5,7-13H,14H2,1H3
InChIKeyFGGGFSHMIFXSPK-UHFFFAOYSA-N
MW421.39 g/mol
LogP6.00
Rot. Bonds3

About 2-[4-[2-(6,7-difluoronaphthalen-2-yl)ethynyl]-3,5-difluorophenyl]-5-(methoxymethyl)pyridine

2-[4-[2-(6,7-difluoronaphthalen-2-yl)ethynyl]-3,5-difluorophenyl]-5-(methoxymethyl)pyridine (PubChem CID 139859351) has the molecular formula C25H15F4NO and a molecular weight of 421.39 g/mol. Its IUPAC name is 2-[4-[2-(6,7-difluoronaphthalen-2-yl)ethynyl]-3,5-difluorophenyl]-5-(methoxymethyl)pyridine.

Molecular Properties

Compound Name2-[4-[2-(6,7-difluoronaphthalen-2-yl)ethynyl]-3,5-difluorophenyl]-5-(methoxymethyl)pyridine
PubChem CID139859351
Molecular FormulaC25H15F4NO
Molecular Weight421.39 g/mol
Exact Mass421.11
IUPAC Name2-[4-[2-(6,7-difluoronaphthalen-2-yl)ethynyl]-3,5-difluorophenyl]-5-(methoxymethyl)pyridine
SMILESCOCc1ccc(-c2cc(F)c(C#Cc3ccc4cc(F)c(F)cc4c3)c(F)c2)nc1
InChIInChI=1S/C25H15F4NO/c1-31-14-16-4-7-25(30-13-16)19-11-21(26)20(22(27)12-19)6-3-15-2-5-17-9-23(28)24(29)10-18(17)8-15/h2,4-5,7-13H,14H2,1H3
InChIKeyFGGGFSHMIFXSPK-UHFFFAOYSA-N
XLogP6.00
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.39
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[4-[2-(6,7-difluoronaphthalen-2-yl)ethynyl]-3,5-difluorophenyl]-5-(methoxymethyl)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

6-[2-[4-[2-[2,6-difluoro-4-(methoxymethyl)phenyl]ethynyl]-2,6-difluorophenyl]ethynyl]-2,3-difluoronaphthalene
CID 139859456
2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]phenyl]-5-(methoxymethyl)pyridine
CID 139859162
2,3-difluoro-6-[2-[2-fluoro-4-[4-(methoxymethyl)phenyl]phenyl]ethynyl]naphthalene
CID 139858391
2,3-difluoro-6-[2-[4-[2-[2-fluoro-4-(methoxymethyl)phenyl]ethyl]phenyl]ethynyl]naphthalene
CID 139857443
6-[2-[2,6-difluoro-4-[2-[4-(3-methoxypropyl)phenyl]ethyl]phenyl]ethynyl]-2,3-difluoronaphthalene
CID 139857638
2-[3-fluoro-4-[2-(6-fluoronaphthalen-2-yl)ethynyl]phenyl]-5-(3-methoxypropyl)pyridine
CID 139859578
2-[2-[4-[2-(6,7-difluoronaphthalen-2-yl)ethynyl]-3,5-difluorophenyl]ethyl]-5-propylpyridine
CID 139857102
5-but-3-enyl-2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]-3,5-difluorophenyl]pyridine
CID 139857993
6-[2-[4-[2-[2,6-difluoro-4-(3-methoxypropyl)phenyl]ethynyl]-2,6-difluorophenyl]ethynyl]-2,3-difluoronaphthalene
CID 139857924
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)pyrimidine
CID 139858546
6-[2-[4-[2-(4-butoxyphenyl)ethyl]-2,6-difluorophenyl]ethynyl]-2,3-difluoronaphthalene
CID 139858930

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(6,7-difluoronaphthalen-2-yl)ethynyl]-3,5-difluorophenyl]-5-(methoxymethyl)pyridine?
The IUPAC name of 2-[4-[2-(6,7-difluoronaphthalen-2-yl)ethynyl]-3,5-difluorophenyl]-5-(methoxymethyl)pyridine (CID 139859351) is 2-[4-[2-(6,7-difluoronaphthalen-2-yl)ethynyl]-3,5-difluorophenyl]-5-(methoxymethyl)pyridine.
What is the SMILES notation for 2-[4-[2-(6,7-difluoronaphthalen-2-yl)ethynyl]-3,5-difluorophenyl]-5-(methoxymethyl)pyridine?
The canonical SMILES for 2-[4-[2-(6,7-difluoronaphthalen-2-yl)ethynyl]-3,5-difluorophenyl]-5-(methoxymethyl)pyridine is COCc1ccc(-c2cc(F)c(C#Cc3ccc4cc(F)c(F)cc4c3)c(F)c2)nc1.
What is the InChIKey of 2-[4-[2-(6,7-difluoronaphthalen-2-yl)ethynyl]-3,5-difluorophenyl]-5-(methoxymethyl)pyridine?
The InChIKey is FGGGFSHMIFXSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15F4NO/c1-31-14-16-4-7-25(30-13-16)19-11-21(26)20(22(27)12-19)6-3-15-2-5-17-9-23(28)24(29)10-18(17)8-15/h2,4-5,7-13H,14H2,1H3.
What are the key properties of 2-[4-[2-(6,7-difluoronaphthalen-2-yl)ethynyl]-3,5-difluorophenyl]-5-(methoxymethyl)pyridine?
2-[4-[2-(6,7-difluoronaphthalen-2-yl)ethynyl]-3,5-difluorophenyl]-5-(methoxymethyl)pyridine has a molecular weight of 421.39 g/mol, XLogP of 6.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(6,7-difluoronaphthalen-2-yl)ethynyl]-3,5-difluorophenyl]-5-(methoxymethyl)pyridine is sourced from PubChem (CID 139859351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).