2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]-5-pentoxypyridine

C28H27F2NO — CID 139872855

IUPAC2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]-5-pentoxypyridine
SMILESCCCCCOc1ccc(-c2ccc3c(F)c(CCc4ccc(F)cc4)ccc3c2)nc1
InChIInChI=1S/C28H27F2NO/c1-2-3-4-17-32-25-14-16-27(31-19-25)23-11-15-26-22(18-23)10-9-21(28(26)30)8-5-20-6-12-24(29)13-7-20/h6-7,9-16,18-19H,2-5,8,17H2,1H3
InChIKeyACMDLKSZLQAWHN-UHFFFAOYSA-N
MW431.53 g/mol
LogP7.53
Rot. Bonds9

About 2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]-5-pentoxypyridine

2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]-5-pentoxypyridine (PubChem CID 139872855) has the molecular formula C28H27F2NO and a molecular weight of 431.53 g/mol. Its IUPAC name is 2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]-5-pentoxypyridine.

Molecular Properties

Compound Name2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]-5-pentoxypyridine
PubChem CID139872855
Molecular FormulaC28H27F2NO
Molecular Weight431.53 g/mol
Exact Mass431.21
IUPAC Name2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]-5-pentoxypyridine
SMILESCCCCCOc1ccc(-c2ccc3c(F)c(CCc4ccc(F)cc4)ccc3c2)nc1
InChIInChI=1S/C28H27F2NO/c1-2-3-4-17-32-25-14-16-27(31-19-25)23-11-15-26-22(18-23)10-9-21(28(26)30)8-5-20-6-12-24(29)13-7-20/h6-7,9-16,18-19H,2-5,8,17H2,1H3
InChIKeyACMDLKSZLQAWHN-UHFFFAOYSA-N
XLogP7.53
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.53
LogP ≤ 57.53
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

5-butoxy-2-[5-fluoro-6-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]naphthalen-2-yl]pyridine
CID 139872384
2-[2-(4-chlorophenyl)ethyl]-1-fluoro-6-(4-pentoxyphenyl)naphthalene
CID 139874640
2-[6-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-5-fluoronaphthalen-2-yl]-5-propoxypyridine
CID 139871716
1-fluoro-6-(4-pentoxyphenyl)-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene
CID 139873720
1-fluoro-6-(4-pentoxyphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene
CID 139874209
5-butoxy-2-[5-fluoro-6-[2-(3,4,5-trifluorophenyl)ethyl]naphthalen-2-yl]pyrimidine
CID 139873385
4-[2-[1-fluoro-6-(5-heptoxypyrimidin-2-yl)naphthalen-2-yl]ethyl]benzonitrile
CID 139872469
2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-hexylpyridine
CID 139873040
2-[6-[2-(4-chlorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-prop-2-enoxypyridine
CID 139875494
2-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-pentoxypyrimidine
CID 139870722
2-[2-[6-[2-(4-chloro-3,5-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-pentoxypyridine
CID 139873909
2-[2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-heptoxypyridine
CID 139874697

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]-5-pentoxypyridine?
The IUPAC name of 2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]-5-pentoxypyridine (CID 139872855) is 2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]-5-pentoxypyridine.
What is the SMILES notation for 2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]-5-pentoxypyridine?
The canonical SMILES for 2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]-5-pentoxypyridine is CCCCCOc1ccc(-c2ccc3c(F)c(CCc4ccc(F)cc4)ccc3c2)nc1.
What is the InChIKey of 2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]-5-pentoxypyridine?
The InChIKey is ACMDLKSZLQAWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F2NO/c1-2-3-4-17-32-25-14-16-27(31-19-25)23-11-15-26-22(18-23)10-9-21(28(26)30)8-5-20-6-12-24(29)13-7-20/h6-7,9-16,18-19H,2-5,8,17H2,1H3.
What are the key properties of 2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]-5-pentoxypyridine?
2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]-5-pentoxypyridine has a molecular weight of 431.53 g/mol, XLogP of 7.53, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]-5-pentoxypyridine is sourced from PubChem (CID 139872855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).