3-[3-(4-fluorophenyl)-2-(3-methylbut-3-enyl)-1-benzofuran-6-yl]pyridine

C24H20FNO — CID 165107494

IUPAC3-[3-(4-fluorophenyl)-2-(3-methylbut-3-enyl)-1-benzofuran-6-yl]pyridine
SMILESC=C(C)CCc1oc2cc(-c3cccnc3)ccc2c1-c1ccc(F)cc1
InChIInChI=1S/C24H20FNO/c1-16(2)5-12-22-24(17-6-9-20(25)10-7-17)21-11-8-18(14-23(21)27-22)19-4-3-13-26-15-19/h3-4,6-11,13-15H,1,5,12H2,2H3
InChIKeyQRHLMHVVKVNDJW-UHFFFAOYSA-N
MW357.43 g/mol
LogP6.81
Rot. Bonds5

About 3-[3-(4-fluorophenyl)-2-(3-methylbut-3-enyl)-1-benzofuran-6-yl]pyridine

3-[3-(4-fluorophenyl)-2-(3-methylbut-3-enyl)-1-benzofuran-6-yl]pyridine (PubChem CID 165107494) has the molecular formula C24H20FNO and a molecular weight of 357.43 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-2-(3-methylbut-3-enyl)-1-benzofuran-6-yl]pyridine.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-2-(3-methylbut-3-enyl)-1-benzofuran-6-yl]pyridine
PubChem CID165107494
Molecular FormulaC24H20FNO
Molecular Weight357.43 g/mol
Exact Mass357.15
IUPAC Name3-[3-(4-fluorophenyl)-2-(3-methylbut-3-enyl)-1-benzofuran-6-yl]pyridine
SMILESC=C(C)CCc1oc2cc(-c3cccnc3)ccc2c1-c1ccc(F)cc1
InChIInChI=1S/C24H20FNO/c1-16(2)5-12-22-24(17-6-9-20(25)10-7-17)21-11-8-18(14-23(21)27-22)19-4-3-13-26-15-19/h3-4,6-11,13-15H,1,5,12H2,2H3
InChIKeyQRHLMHVVKVNDJW-UHFFFAOYSA-N
XLogP6.81
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.43
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-ethyl-1-benzofuran-6-yl)pyridine
CID 91016245
7-fluoro-2-(4-methylsulfonylphenyl)-3-pyridin-3-ylchromen-4-one
CID 18324965
6-pyridin-3-yl-3H-1,3-benzoxazol-2-one
CID 58255623
5-hydroxy-3-pyridin-3-ylxanthen-9-one
CID 57436677
5-[6-(4-fluorophenyl)naphthalen-2-yl]-2-pyridin-3-ylpyridine
CID 169294016
3-[3-(10-dibenzofuran-3-yl-6,6-dimethylbenzo[d][1,3]benzodioxepin-2-yl)-5-pyridin-3-ylphenyl]pyridine
CID 121441909
2-(4-fluorophenyl)-5-propan-2-yloxy-6-pyridin-3-yl-1-benzofuran-3-carboxylic acid
CID 142773646
3-[4-[7-[10-(4-ethylphenyl)anthracen-9-yl]naphthalen-2-yl]phenyl]pyridine
CID 88554561
7-fluoro-4-pyridin-3-yl-2H-phthalazin-1-one
CID 139838501
3-[4-(4-fluorophenoxy)phenyl]pyridine
CID 91298278
3-(5-methylnaphthalen-2-yl)pyridine
CID 126628486
3-(4-fluoro-3-propan-2-ylphenyl)pyridine
CID 83381583

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-2-(3-methylbut-3-enyl)-1-benzofuran-6-yl]pyridine?
The IUPAC name of 3-[3-(4-fluorophenyl)-2-(3-methylbut-3-enyl)-1-benzofuran-6-yl]pyridine (CID 165107494) is 3-[3-(4-fluorophenyl)-2-(3-methylbut-3-enyl)-1-benzofuran-6-yl]pyridine.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-2-(3-methylbut-3-enyl)-1-benzofuran-6-yl]pyridine?
The canonical SMILES for 3-[3-(4-fluorophenyl)-2-(3-methylbut-3-enyl)-1-benzofuran-6-yl]pyridine is C=C(C)CCc1oc2cc(-c3cccnc3)ccc2c1-c1ccc(F)cc1.
What is the InChIKey of 3-[3-(4-fluorophenyl)-2-(3-methylbut-3-enyl)-1-benzofuran-6-yl]pyridine?
The InChIKey is QRHLMHVVKVNDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FNO/c1-16(2)5-12-22-24(17-6-9-20(25)10-7-17)21-11-8-18(14-23(21)27-22)19-4-3-13-26-15-19/h3-4,6-11,13-15H,1,5,12H2,2H3.
What are the key properties of 3-[3-(4-fluorophenyl)-2-(3-methylbut-3-enyl)-1-benzofuran-6-yl]pyridine?
3-[3-(4-fluorophenyl)-2-(3-methylbut-3-enyl)-1-benzofuran-6-yl]pyridine has a molecular weight of 357.43 g/mol, XLogP of 6.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-2-(3-methylbut-3-enyl)-1-benzofuran-6-yl]pyridine is sourced from PubChem (CID 165107494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).