2-[6-[2-(4-chlorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-prop-2-enoxypyridine

C26H21ClFNO — CID 139875494

IUPAC2-[6-[2-(4-chlorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-prop-2-enoxypyridine
SMILESC=CCOc1ccc(-c2ccc3c(F)c(CCc4ccc(Cl)cc4)ccc3c2)nc1
InChIInChI=1S/C26H21ClFNO/c1-2-15-30-23-12-14-25(29-17-23)21-9-13-24-20(16-21)8-7-19(26(24)28)6-3-18-4-10-22(27)11-5-18/h2,4-5,7-14,16-17H,1,3,6,15H2
InChIKeyJCKGKJQZDBQMNP-UHFFFAOYSA-N
MW417.91 g/mol
LogP7.04
Rot. Bonds7

About 2-[6-[2-(4-chlorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-prop-2-enoxypyridine

2-[6-[2-(4-chlorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-prop-2-enoxypyridine (PubChem CID 139875494) has the molecular formula C26H21ClFNO and a molecular weight of 417.91 g/mol. Its IUPAC name is 2-[6-[2-(4-chlorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-prop-2-enoxypyridine.

Molecular Properties

Compound Name2-[6-[2-(4-chlorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-prop-2-enoxypyridine
PubChem CID139875494
Molecular FormulaC26H21ClFNO
Molecular Weight417.91 g/mol
Exact Mass417.13
IUPAC Name2-[6-[2-(4-chlorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-prop-2-enoxypyridine
SMILESC=CCOc1ccc(-c2ccc3c(F)c(CCc4ccc(Cl)cc4)ccc3c2)nc1
InChIInChI=1S/C26H21ClFNO/c1-2-15-30-23-12-14-25(29-17-23)21-9-13-24-20(16-21)8-7-19(26(24)28)6-3-18-4-10-22(27)11-5-18/h2,4-5,7-14,16-17H,1,3,6,15H2
InChIKeyJCKGKJQZDBQMNP-UHFFFAOYSA-N
XLogP7.04
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.91
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[6-[2-(4-chlorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-prop-2-enoxypyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-[2-(4-chloro-3,5-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-prop-2-enoxypyrimidine
CID 139873277
2-[2-(4-chloro-3,5-difluorophenyl)ethyl]-1-fluoro-6-[2-(4-prop-2-enoxyphenyl)ethyl]naphthalene
CID 139874139
2-[2-(4-chloro-3-fluorophenyl)ethyl]-1-fluoro-6-[2-(4-prop-2-enoxyphenyl)ethyl]naphthalene
CID 139874997
2-[5-fluoro-6-[2-(4-fluorophenyl)ethyl]naphthalen-2-yl]-5-pentoxypyridine
CID 139872855
2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-(2-fluoro-4-prop-2-enoxyphenyl)naphthalene
CID 139874566
2-[2-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-prop-2-enoxypyrimidine
CID 139873941
2-[6-[2-(3,4-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-(methoxymethyl)pyridine
CID 139872276
1-fluoro-6-(2-fluoro-4-prop-2-enoxyphenyl)-2-[2-(3,4,5-trifluorophenyl)ethyl]naphthalene
CID 139874633
5-but-3-enyl-2-[6-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]pyridine
CID 139874232
2-[2-(4-chlorophenyl)ethyl]-1-fluoro-6-(4-pentoxyphenyl)naphthalene
CID 139874640
2-[6-[2-(4-chloro-3,5-difluorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-propylpyridine
CID 139872572
2-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethyl]-1-fluoro-6-(4-prop-2-enoxyphenyl)naphthalene
CID 139870749

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-(4-chlorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-prop-2-enoxypyridine?
The IUPAC name of 2-[6-[2-(4-chlorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-prop-2-enoxypyridine (CID 139875494) is 2-[6-[2-(4-chlorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-prop-2-enoxypyridine.
What is the SMILES notation for 2-[6-[2-(4-chlorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-prop-2-enoxypyridine?
The canonical SMILES for 2-[6-[2-(4-chlorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-prop-2-enoxypyridine is C=CCOc1ccc(-c2ccc3c(F)c(CCc4ccc(Cl)cc4)ccc3c2)nc1.
What is the InChIKey of 2-[6-[2-(4-chlorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-prop-2-enoxypyridine?
The InChIKey is JCKGKJQZDBQMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClFNO/c1-2-15-30-23-12-14-25(29-17-23)21-9-13-24-20(16-21)8-7-19(26(24)28)6-3-18-4-10-22(27)11-5-18/h2,4-5,7-14,16-17H,1,3,6,15H2.
What are the key properties of 2-[6-[2-(4-chlorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-prop-2-enoxypyridine?
2-[6-[2-(4-chlorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-prop-2-enoxypyridine has a molecular weight of 417.91 g/mol, XLogP of 7.04, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-(4-chlorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-prop-2-enoxypyridine is sourced from PubChem (CID 139875494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).