2-(6-ethyl-2-fluoro-3-pyridinyl)-1-benzofuran-5-ol

C15H12FNO2 — CID 148908123

IUPAC2-(6-ethyl-2-fluoro-3-pyridinyl)-1-benzofuran-5-ol
SMILESCCc1ccc(-c2cc3cc(O)ccc3o2)c(F)n1
InChIInChI=1S/C15H12FNO2/c1-2-10-3-5-12(15(16)17-10)14-8-9-7-11(18)4-6-13(9)19-14/h3-8,18H,2H2,1H3
InChIKeyPIBZBGVMBFDYCJ-UHFFFAOYSA-N
MW257.26 g/mol
LogP3.90
Rot. Bonds2

About 2-(6-ethyl-2-fluoro-3-pyridinyl)-1-benzofuran-5-ol

2-(6-ethyl-2-fluoro-3-pyridinyl)-1-benzofuran-5-ol (PubChem CID 148908123) has the molecular formula C15H12FNO2 and a molecular weight of 257.26 g/mol. Its IUPAC name is 2-(6-ethyl-2-fluoro-3-pyridinyl)-1-benzofuran-5-ol.

Molecular Properties

Compound Name2-(6-ethyl-2-fluoro-3-pyridinyl)-1-benzofuran-5-ol
PubChem CID148908123
Molecular FormulaC15H12FNO2
Molecular Weight257.26 g/mol
Exact Mass257.09
IUPAC Name2-(6-ethyl-2-fluoro-3-pyridinyl)-1-benzofuran-5-ol
SMILESCCc1ccc(-c2cc3cc(O)ccc3o2)c(F)n1
InChIInChI=1S/C15H12FNO2/c1-2-10-3-5-12(15(16)17-10)14-8-9-7-11(18)4-6-13(9)19-14/h3-8,18H,2H2,1H3
InChIKeyPIBZBGVMBFDYCJ-UHFFFAOYSA-N
XLogP3.90
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-4-(5-fluoro-1-benzofuran-2-yl)phenol
CID 114735944
2-(2-bromo-4-methylphenyl)-1-benzofuran-5-ol
CID 21022043
2-[6-fluoro-5-(methylamino)-2-pyridinyl]-1-benzofuran-5-ol
CID 25014934
2-ethylquinolin-6-ol
CID 19389936
6-hydroxy-3-(4-methylphenyl)chromen-2-one
CID 56594088
N-[[3-fluoro-4-(5-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine
CID 114732421
2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1-benzofuran-5-ol
CID 19092776
2-(1,1-difluoroethyl)-1-benzofuran-5-ol
CID 84668029
2-fluoro-3-(5-methoxy-1-benzofuran-2-yl)pyridine
CID 141295265
7-chloro-5-(5-hydroxy-1-benzofuran-2-yl)quinolin-8-ol
CID 127037472
4-[5,6-bis(hydroxymethylidene)-1-benzofuran-2-yl]benzene-1,3-diol
CID 174921890
2-(methylsulfanylmethyl)-1-benzofuran-5-ol
CID 117175988

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-2-fluoro-3-pyridinyl)-1-benzofuran-5-ol?
The IUPAC name of 2-(6-ethyl-2-fluoro-3-pyridinyl)-1-benzofuran-5-ol (CID 148908123) is 2-(6-ethyl-2-fluoro-3-pyridinyl)-1-benzofuran-5-ol.
What is the SMILES notation for 2-(6-ethyl-2-fluoro-3-pyridinyl)-1-benzofuran-5-ol?
The canonical SMILES for 2-(6-ethyl-2-fluoro-3-pyridinyl)-1-benzofuran-5-ol is CCc1ccc(-c2cc3cc(O)ccc3o2)c(F)n1.
What is the InChIKey of 2-(6-ethyl-2-fluoro-3-pyridinyl)-1-benzofuran-5-ol?
The InChIKey is PIBZBGVMBFDYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO2/c1-2-10-3-5-12(15(16)17-10)14-8-9-7-11(18)4-6-13(9)19-14/h3-8,18H,2H2,1H3.
What are the key properties of 2-(6-ethyl-2-fluoro-3-pyridinyl)-1-benzofuran-5-ol?
2-(6-ethyl-2-fluoro-3-pyridinyl)-1-benzofuran-5-ol has a molecular weight of 257.26 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-2-fluoro-3-pyridinyl)-1-benzofuran-5-ol is sourced from PubChem (CID 148908123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).