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

C26H19F2NO — CID 139857708

IUPAC2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]phenyl]-5-(2-methoxyethyl)pyridine
SMILESCOCCc1ccc(-c2ccc(C#Cc3ccc4c(F)c(F)ccc4c3)cc2)nc1
InChIInChI=1S/C26H19F2NO/c1-30-15-14-20-7-13-25(29-17-20)21-8-4-18(5-9-21)2-3-19-6-11-23-22(16-19)10-12-24(27)26(23)28/h4-13,16-17H,14-15H2,1H3
InChIKeySUANDFJYUDTFHB-UHFFFAOYSA-N
MW399.44 g/mol
LogP5.77
Rot. Bonds4

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

2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]phenyl]-5-(2-methoxyethyl)pyridine (PubChem CID 139857708) has the molecular formula C26H19F2NO and a molecular weight of 399.44 g/mol. Its IUPAC name is 2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]phenyl]-5-(2-methoxyethyl)pyridine.

Molecular Properties

Compound Name2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]phenyl]-5-(2-methoxyethyl)pyridine
PubChem CID139857708
Molecular FormulaC26H19F2NO
Molecular Weight399.44 g/mol
Exact Mass399.14
IUPAC Name2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]phenyl]-5-(2-methoxyethyl)pyridine
SMILESCOCCc1ccc(-c2ccc(C#Cc3ccc4c(F)c(F)ccc4c3)cc2)nc1
InChIInChI=1S/C26H19F2NO/c1-30-15-14-20-7-13-25(29-17-20)21-8-4-18(5-9-21)2-3-19-6-11-23-22(16-19)10-12-24(27)26(23)28/h4-13,16-17H,14-15H2,1H3
InChIKeySUANDFJYUDTFHB-UHFFFAOYSA-N
XLogP5.77
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.44
LogP ≤ 55.77
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-(methoxymethyl)pyridine
CID 139859162
2-[3-fluoro-4-[2-(5,6,7-trifluoronaphthalen-2-yl)ethynyl]phenyl]-5-(2-methoxyethyl)pyridine
CID 139857991
5-but-3-enyl-2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]-3,5-difluorophenyl]pyridine
CID 139857993
5-(2-methoxyethyl)-2-[2-[4-[2-(5,6,7-trifluoronaphthalen-2-yl)ethynyl]phenyl]ethyl]pyridine
CID 139857673
2-[3-fluoro-4-[2-(6-fluoronaphthalen-2-yl)ethynyl]phenyl]-5-(3-methoxypropyl)pyridine
CID 139859578
2-[2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]phenyl]ethyl]-5-methylpyrimidine
CID 139859286
5-(3-methoxypropyl)-2-[4-[2-(5,6,7-trifluoronaphthalen-2-yl)ethynyl]phenyl]pyrimidine
CID 139859560
2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]-5-(2-methoxyethyl)pyridine
CID 139873105
2-[4-[2-(6-fluoronaphthalen-2-yl)ethynyl]phenyl]-5-pentylpyridine
CID 139857066
2-[2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]phenyl]ethyl]-5-methylpyridine
CID 139858206
5-(3-methoxypropyl)-2-[2-[4-[2-(5,6,7-trifluoronaphthalen-2-yl)ethynyl]phenyl]ethyl]pyridine
CID 139858373
2-[5-fluoro-6-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalen-2-yl]-5-(2-methoxyethyl)pyridine
CID 139870968

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]phenyl]-5-(2-methoxyethyl)pyridine?
The IUPAC name of 2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]phenyl]-5-(2-methoxyethyl)pyridine (CID 139857708) is 2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]phenyl]-5-(2-methoxyethyl)pyridine.
What is the SMILES notation for 2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]phenyl]-5-(2-methoxyethyl)pyridine?
The canonical SMILES for 2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]phenyl]-5-(2-methoxyethyl)pyridine is COCCc1ccc(-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-(2-methoxyethyl)pyridine?
The InChIKey is SUANDFJYUDTFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2NO/c1-30-15-14-20-7-13-25(29-17-20)21-8-4-18(5-9-21)2-3-19-6-11-23-22(16-19)10-12-24(27)26(23)28/h4-13,16-17H,14-15H2,1H3.
What are the key properties of 2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]phenyl]-5-(2-methoxyethyl)pyridine?
2-[4-[2-(5,6-difluoronaphthalen-2-yl)ethynyl]phenyl]-5-(2-methoxyethyl)pyridine has a molecular weight of 399.44 g/mol, XLogP of 5.77, 4 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-(2-methoxyethyl)pyridine is sourced from PubChem (CID 139857708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).