2-[2-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-pentylpyridine

C30H30ClF2N — CID 139872467

IUPAC2-[2-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-pentylpyridine
SMILESCCCCCc1ccc(CCc2ccc3c(F)c(CCc4ccc(Cl)c(F)c4)ccc3c2)nc1
InChIInChI=1S/C30H30ClF2N/c1-2-3-4-5-23-8-15-26(34-20-23)14-7-21-9-16-27-25(18-21)13-12-24(30(27)33)11-6-22-10-17-28(31)29(32)19-22/h8-10,12-13,15-20H,2-7,11,14H2,1H3
InChIKeyNZHHCLYPEWEVQA-UHFFFAOYSA-N
MW478.03 g/mol
LogP8.47
Rot. Bonds10

About 2-[2-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-pentylpyridine

2-[2-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-pentylpyridine (PubChem CID 139872467) has the molecular formula C30H30ClF2N and a molecular weight of 478.03 g/mol. Its IUPAC name is 2-[2-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-pentylpyridine.

Molecular Properties

Compound Name2-[2-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-pentylpyridine
PubChem CID139872467
Molecular FormulaC30H30ClF2N
Molecular Weight478.03 g/mol
Exact Mass477.20
IUPAC Name2-[2-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-pentylpyridine
SMILESCCCCCc1ccc(CCc2ccc3c(F)c(CCc4ccc(Cl)c(F)c4)ccc3c2)nc1
InChIInChI=1S/C30H30ClF2N/c1-2-3-4-5-23-8-15-26(34-20-23)14-7-21-9-16-27-25(18-21)13-12-24(30(27)33)11-6-22-10-17-28(31)29(32)19-22/h8-10,12-13,15-20H,2-7,11,14H2,1H3
InChIKeyNZHHCLYPEWEVQA-UHFFFAOYSA-N
XLogP8.47
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.03
LogP ≤ 58.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-pentylpyridine
CID 139873560
2-[2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]ethyl]-5-heptylpyridine
CID 139873357
2-[2-[6-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-hexylpyridine
CID 139872473
2-[2-(4-chloro-3-fluorophenyl)ethyl]-6-[2-(2,6-difluoro-4-heptylphenyl)ethyl]-1-fluoronaphthalene
CID 139874931
4-[2-[1-fluoro-6-[2-(5-pentyl-2-pyridinyl)ethyl]naphthalen-2-yl]ethyl]benzonitrile
CID 139872483
2-[2-[6-[2-(4-chloro-3,5-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-ethylpyridine
CID 139872731
2-[2-[6-[2-(4-chloro-3,5-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-pentoxypyridine
CID 139873909
2-[2-(4-chlorophenyl)ethyl]-1-fluoro-6-[2-(2-fluoro-4-pentylphenyl)ethyl]naphthalene
CID 139874282
2-[2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-heptoxypyridine
CID 139874697
2-[2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-hexylpyrimidine
CID 139873484
2-[2-[6-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-propylpyridine
CID 139871614
2-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-pentoxypyrimidine
CID 139870722

Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-pentylpyridine?
The IUPAC name of 2-[2-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-pentylpyridine (CID 139872467) is 2-[2-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-pentylpyridine.
What is the SMILES notation for 2-[2-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-pentylpyridine?
The canonical SMILES for 2-[2-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-pentylpyridine is CCCCCc1ccc(CCc2ccc3c(F)c(CCc4ccc(Cl)c(F)c4)ccc3c2)nc1.
What is the InChIKey of 2-[2-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-pentylpyridine?
The InChIKey is NZHHCLYPEWEVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30ClF2N/c1-2-3-4-5-23-8-15-26(34-20-23)14-7-21-9-16-27-25(18-21)13-12-24(30(27)33)11-6-22-10-17-28(31)29(32)19-22/h8-10,12-13,15-20H,2-7,11,14H2,1H3.
What are the key properties of 2-[2-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-pentylpyridine?
2-[2-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-pentylpyridine has a molecular weight of 478.03 g/mol, XLogP of 8.47, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-pentylpyridine is sourced from PubChem (CID 139872467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).