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

C27H24ClF2NO — CID 139872748

IUPAC2-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-(3-methoxypropyl)pyridine
SMILESCOCCCc1ccc(-c2ccc3c(F)c(CCc4ccc(Cl)c(F)c4)ccc3c2)nc1
InChIInChI=1S/C27H24ClF2NO/c1-32-14-2-3-19-6-13-26(31-17-19)22-10-11-23-21(16-22)9-8-20(27(23)30)7-4-18-5-12-24(28)25(29)15-18/h5-6,8-13,15-17H,2-4,7,14H2,1H3
InChIKeyQZDZNPHQIICYLE-UHFFFAOYSA-N
MW451.94 g/mol
LogP7.20
Rot. Bonds8

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

2-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-(3-methoxypropyl)pyridine (PubChem CID 139872748) has the molecular formula C27H24ClF2NO and a molecular weight of 451.94 g/mol. Its IUPAC name is 2-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-(3-methoxypropyl)pyridine.

Molecular Properties

Compound Name2-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-(3-methoxypropyl)pyridine
PubChem CID139872748
Molecular FormulaC27H24ClF2NO
Molecular Weight451.94 g/mol
Exact Mass451.15
IUPAC Name2-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-(3-methoxypropyl)pyridine
SMILESCOCCCc1ccc(-c2ccc3c(F)c(CCc4ccc(Cl)c(F)c4)ccc3c2)nc1
InChIInChI=1S/C27H24ClF2NO/c1-32-14-2-3-19-6-13-26(31-17-19)22-10-11-23-21(16-22)9-8-20(27(23)30)7-4-18-5-12-24(28)25(29)15-18/h5-6,8-13,15-17H,2-4,7,14H2,1H3
InChIKeyQZDZNPHQIICYLE-UHFFFAOYSA-N
XLogP7.20
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.94
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-4-[2-[1-fluoro-6-[5-(3-methoxypropyl)-2-pyridinyl]naphthalen-2-yl]ethyl]benzonitrile
CID 139874304
2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]-5-(2-methoxyethyl)pyridine
CID 139873105
2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-(methoxymethyl)pyridine
CID 139872276
2-[5-fluoro-6-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalen-2-yl]-5-(2-methoxyethyl)pyridine
CID 139870968
2-[6-[2-(4-chloro-3,5-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-propylpyridine
CID 139872572
2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-hexylpyridine
CID 139873040
2-[6-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-(3-methoxypropyl)pyrimidine
CID 139871136
2-[2-(4-chloro-3-fluorophenyl)ethyl]-6-[2,6-difluoro-4-(methoxymethyl)phenyl]-1-fluoronaphthalene
CID 139875278
2-[6-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-(methoxymethyl)pyridine
CID 139872707
2-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-pentoxypyrimidine
CID 139870722
2-[2-[6-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-(3-methoxypropyl)pyridine
CID 139871445
6-[2,6-difluoro-4-(3-methoxypropyl)phenyl]-1-fluoro-2-[2-(3,4,5-trifluorophenyl)ethyl]naphthalene
CID 139875545

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-(3-methoxypropyl)pyridine?
The IUPAC name of 2-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-(3-methoxypropyl)pyridine (CID 139872748) is 2-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-(3-methoxypropyl)pyridine.
What is the SMILES notation for 2-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-(3-methoxypropyl)pyridine?
The canonical SMILES for 2-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-(3-methoxypropyl)pyridine is COCCCc1ccc(-c2ccc3c(F)c(CCc4ccc(Cl)c(F)c4)ccc3c2)nc1.
What is the InChIKey of 2-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-(3-methoxypropyl)pyridine?
The InChIKey is QZDZNPHQIICYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClF2NO/c1-32-14-2-3-19-6-13-26(31-17-19)22-10-11-23-21(16-22)9-8-20(27(23)30)7-4-18-5-12-24(28)25(29)15-18/h5-6,8-13,15-17H,2-4,7,14H2,1H3.
What are the key properties of 2-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-(3-methoxypropyl)pyridine?
2-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-(3-methoxypropyl)pyridine has a molecular weight of 451.94 g/mol, XLogP of 7.20, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-(3-methoxypropyl)pyridine is sourced from PubChem (CID 139872748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).