2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-(methoxymethyl)pyridine

C25H20F3NO — CID 139872276

IUPAC2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-(methoxymethyl)pyridine
SMILESCOCc1ccc(-c2ccc3c(F)c(CCc4ccc(F)c(F)c4)ccc3c2)nc1
InChIInChI=1S/C25H20F3NO/c1-30-15-17-4-11-24(29-14-17)20-8-9-21-19(13-20)7-6-18(25(21)28)5-2-16-3-10-22(26)23(27)12-16/h3-4,6-14H,2,5,15H2,1H3
InChIKeyHVJBPFCKOZWTMM-UHFFFAOYSA-N
MW407.44 g/mol
LogP6.25
Rot. Bonds6

About 2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-(methoxymethyl)pyridine

2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-(methoxymethyl)pyridine (PubChem CID 139872276) has the molecular formula C25H20F3NO and a molecular weight of 407.44 g/mol. Its IUPAC name is 2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-(methoxymethyl)pyridine.

Molecular Properties

Compound Name2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-(methoxymethyl)pyridine
PubChem CID139872276
Molecular FormulaC25H20F3NO
Molecular Weight407.44 g/mol
Exact Mass407.15
IUPAC Name2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-(methoxymethyl)pyridine
SMILESCOCc1ccc(-c2ccc3c(F)c(CCc4ccc(F)c(F)c4)ccc3c2)nc1
InChIInChI=1S/C25H20F3NO/c1-30-15-17-4-11-24(29-14-17)20-8-9-21-19(13-20)7-6-18(25(21)28)5-2-16-3-10-22(26)23(27)12-16/h3-4,6-14H,2,5,15H2,1H3
InChIKeyHVJBPFCKOZWTMM-UHFFFAOYSA-N
XLogP6.25
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.44
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[6-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-(methoxymethyl)pyridine
CID 139872707
2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-hexylpyridine
CID 139873040
2-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-(3-methoxypropyl)pyridine
CID 139872748
2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]-5-(2-methoxyethyl)pyridine
CID 139873105
2-[5-fluoro-6-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalen-2-yl]-5-(2-methoxyethyl)pyridine
CID 139870968
2-fluoro-4-[2-[1-fluoro-6-[5-(3-methoxypropyl)-2-pyridinyl]naphthalen-2-yl]ethyl]benzonitrile
CID 139874304
2-[6-[2-(4-chloro-3,5-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-propylpyridine
CID 139872572
2-[5-fluoro-6-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalen-2-yl]-5-(methoxymethyl)pyrimidine
CID 139874222
5-ethyl-2-[5-fluoro-6-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalen-2-yl]pyridine
CID 139872895
2-[2-[6-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-(methoxymethyl)pyrimidine
CID 139871217
2-[6-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-ethylpyridine
CID 139874423
2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-pentylpyrimidine
CID 139870946

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-(methoxymethyl)pyridine?
The IUPAC name of 2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-(methoxymethyl)pyridine (CID 139872276) is 2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-(methoxymethyl)pyridine.
What is the SMILES notation for 2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-(methoxymethyl)pyridine?
The canonical SMILES for 2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-(methoxymethyl)pyridine is COCc1ccc(-c2ccc3c(F)c(CCc4ccc(F)c(F)c4)ccc3c2)nc1.
What is the InChIKey of 2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-(methoxymethyl)pyridine?
The InChIKey is HVJBPFCKOZWTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3NO/c1-30-15-17-4-11-24(29-14-17)20-8-9-21-19(13-20)7-6-18(25(21)28)5-2-16-3-10-22(26)23(27)12-16/h3-4,6-14H,2,5,15H2,1H3.
What are the key properties of 2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-(methoxymethyl)pyridine?
2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-(methoxymethyl)pyridine has a molecular weight of 407.44 g/mol, XLogP of 6.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-(methoxymethyl)pyridine is sourced from PubChem (CID 139872276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).