[4-(5-propyl-2-pyridinyl)phenyl] 2-fluoro-4-propylbenzoate

C24H24FNO2 — CID 19859398

IUPAC[4-(5-propyl-2-pyridinyl)phenyl] 2-fluoro-4-propylbenzoate
SMILESCCCc1ccc(-c2ccc(OC(=O)c3ccc(CCC)cc3F)cc2)nc1
InChIInChI=1S/C24H24FNO2/c1-3-5-17-7-13-21(22(25)15-17)24(27)28-20-11-9-19(10-12-20)23-14-8-18(6-4-2)16-26-23/h7-16H,3-6H2,1-2H3
InChIKeyZWKNMDDFBCIVPX-UHFFFAOYSA-N
MW377.46 g/mol
LogP6.01
Rot. Bonds7

About [4-(5-propyl-2-pyridinyl)phenyl] 2-fluoro-4-propylbenzoate

[4-(5-propyl-2-pyridinyl)phenyl] 2-fluoro-4-propylbenzoate (PubChem CID 19859398) has the molecular formula C24H24FNO2 and a molecular weight of 377.46 g/mol. Its IUPAC name is [4-(5-propyl-2-pyridinyl)phenyl] 2-fluoro-4-propylbenzoate.

Molecular Properties

Compound Name[4-(5-propyl-2-pyridinyl)phenyl] 2-fluoro-4-propylbenzoate
PubChem CID19859398
Molecular FormulaC24H24FNO2
Molecular Weight377.46 g/mol
Exact Mass377.18
IUPAC Name[4-(5-propyl-2-pyridinyl)phenyl] 2-fluoro-4-propylbenzoate
SMILESCCCc1ccc(-c2ccc(OC(=O)c3ccc(CCC)cc3F)cc2)nc1
InChIInChI=1S/C24H24FNO2/c1-3-5-17-7-13-21(22(25)15-17)24(27)28-20-11-9-19(10-12-20)23-14-8-18(6-4-2)16-26-23/h7-16H,3-6H2,1-2H3
InChIKeyZWKNMDDFBCIVPX-UHFFFAOYSA-N
XLogP6.01
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.46
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(5-butyl-2-pyridinyl)phenyl] 2-fluoro-4-heptylbenzoate
CID 19858958
[4-(5-octyl-2-pyridinyl)phenyl] 4-ethyl-2-fluorobenzoate
CID 19858939
[4-(5-ethyl-2-pyridinyl)phenyl] 2-fluoro-4-hexylbenzoate
CID 19858768
(2-fluoro-4-propylphenyl) 4-(5-propyl-2-pyridinyl)benzoate
CID 54381935
[4-(5-propyl-2-pyridinyl)phenyl] 4-butoxybenzoate
CID 5027544
[4-(5-propyl-2-pyridinyl)phenyl] 3-nitrobenzoate
CID 3992910
(5-cyano-2-pyridinyl) 4-(5-butyl-2-pyridinyl)-2-fluorobenzoate
CID 90209303
[4-(difluoromethoxy)phenyl] 2-fluoro-4-(5-pentylpyrimidin-2-yl)benzoate
CID 20708922
2-(4-methoxyphenyl)-5-propylpyridine
CID 54073906
[4-(5-decylpyrimidin-2-yl)phenyl] 2-fluoro-4-hexoxybenzoate
CID 19992774
(4-pentoxyphenyl) 4-(5-pentyl-2-pyridinyl)benzoate
CID 3539341
2-[4-(2-fluoro-4-propylphenyl)phenyl]-5-pentylpyridine
CID 19859704

Frequently Asked Questions

What is the IUPAC name of [4-(5-propyl-2-pyridinyl)phenyl] 2-fluoro-4-propylbenzoate?
The IUPAC name of [4-(5-propyl-2-pyridinyl)phenyl] 2-fluoro-4-propylbenzoate (CID 19859398) is [4-(5-propyl-2-pyridinyl)phenyl] 2-fluoro-4-propylbenzoate.
What is the SMILES notation for [4-(5-propyl-2-pyridinyl)phenyl] 2-fluoro-4-propylbenzoate?
The canonical SMILES for [4-(5-propyl-2-pyridinyl)phenyl] 2-fluoro-4-propylbenzoate is CCCc1ccc(-c2ccc(OC(=O)c3ccc(CCC)cc3F)cc2)nc1.
What is the InChIKey of [4-(5-propyl-2-pyridinyl)phenyl] 2-fluoro-4-propylbenzoate?
The InChIKey is ZWKNMDDFBCIVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FNO2/c1-3-5-17-7-13-21(22(25)15-17)24(27)28-20-11-9-19(10-12-20)23-14-8-18(6-4-2)16-26-23/h7-16H,3-6H2,1-2H3.
What are the key properties of [4-(5-propyl-2-pyridinyl)phenyl] 2-fluoro-4-propylbenzoate?
[4-(5-propyl-2-pyridinyl)phenyl] 2-fluoro-4-propylbenzoate has a molecular weight of 377.46 g/mol, XLogP of 6.01, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-propyl-2-pyridinyl)phenyl] 2-fluoro-4-propylbenzoate is sourced from PubChem (CID 19859398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).