2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]phenyl]-5-(methoxymethyl)pyridine

C25H17F2NO — CID 139859162

IUPAC2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]phenyl]-5-(methoxymethyl)pyridine
SMILESCOCc1ccc(-c2ccc(C#Cc3ccc4c(F)c(F)ccc4c3)cc2)nc1
InChIInChI=1S/C25H17F2NO/c1-29-16-19-7-13-24(28-15-19)20-8-4-17(5-9-20)2-3-18-6-11-22-21(14-18)10-12-23(26)25(22)27/h4-15H,16H2,1H3
InChIKeyHWERHRAXTFNTCI-UHFFFAOYSA-N
MW385.41 g/mol
LogP5.73
Rot. Bonds3

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

2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]phenyl]-5-(methoxymethyl)pyridine (PubChem CID 139859162) has the molecular formula C25H17F2NO and a molecular weight of 385.41 g/mol. Its IUPAC name is 2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]phenyl]-5-(methoxymethyl)pyridine.

Molecular Properties

Compound Name2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]phenyl]-5-(methoxymethyl)pyridine
PubChem CID139859162
Molecular FormulaC25H17F2NO
Molecular Weight385.41 g/mol
Exact Mass385.13
IUPAC Name2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]phenyl]-5-(methoxymethyl)pyridine
SMILESCOCc1ccc(-c2ccc(C#Cc3ccc4c(F)c(F)ccc4c3)cc2)nc1
InChIInChI=1S/C25H17F2NO/c1-29-16-19-7-13-24(28-15-19)20-8-4-17(5-9-20)2-3-18-6-11-22-21(14-18)10-12-23(26)25(22)27/h4-15H,16H2,1H3
InChIKeyHWERHRAXTFNTCI-UHFFFAOYSA-N
XLogP5.73
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.41
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]phenyl]-5-(2-methoxyethyl)pyridine
CID 139857708
2-[4-[2-(6,7-difluoronaphthalen-2-yl)ethynyl]-3,5-difluorophenyl]-5-(methoxymethyl)pyridine
CID 139859351
2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-(methoxymethyl)pyridine
CID 139872276
5-but-3-enyl-2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]-3,5-difluorophenyl]pyridine
CID 139857993
2-[3-fluoro-4-[2-(5,6,7-trifluoronaphthalen-2-yl)ethynyl]phenyl]-5-(2-methoxyethyl)pyridine
CID 139857991
2-[2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]phenyl]ethyl]-5-methylpyrimidine
CID 139859286
2-[6-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-(methoxymethyl)pyridine
CID 139872707
2-[2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]phenyl]ethyl]-5-methylpyridine
CID 139858206
6-[2-[4-[2-(4-ethyl-2-fluorophenyl)ethynyl]phenyl]ethynyl]-1,2-difluoronaphthalene
CID 139857447
6-[2-[4-(4-ethylphenyl)-2-fluorophenyl]ethynyl]-1,2-difluoronaphthalene
CID 139847137
6-[2-[4-(4-butoxy-2,6-difluorophenyl)phenyl]ethynyl]-1,2-difluoronaphthalene
CID 139858779
2-[4-[2-(6-fluoronaphthalen-2-yl)ethynyl]phenyl]-5-pentylpyridine
CID 139857066

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]phenyl]-5-(methoxymethyl)pyridine?
The IUPAC name of 2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]phenyl]-5-(methoxymethyl)pyridine (CID 139859162) is 2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]phenyl]-5-(methoxymethyl)pyridine.
What is the SMILES notation for 2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]phenyl]-5-(methoxymethyl)pyridine?
The canonical SMILES for 2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]phenyl]-5-(methoxymethyl)pyridine is COCc1ccc(-c2ccc(C#Cc3ccc4c(F)c(F)ccc4c3)cc2)nc1.
What is the InChIKey of 2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]phenyl]-5-(methoxymethyl)pyridine?
The InChIKey is HWERHRAXTFNTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F2NO/c1-29-16-19-7-13-24(28-15-19)20-8-4-17(5-9-20)2-3-18-6-11-22-21(14-18)10-12-23(26)25(22)27/h4-15H,16H2,1H3.
What are the key properties of 2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]phenyl]-5-(methoxymethyl)pyridine?
2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]phenyl]-5-(methoxymethyl)pyridine has a molecular weight of 385.41 g/mol, XLogP of 5.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]phenyl]-5-(methoxymethyl)pyridine is sourced from PubChem (CID 139859162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).