2-fluoro-4-hydroxy-1-benzofuran-6-carbonitrile

C9H4FNO2 — CID 126649107

IUPAC2-fluoro-4-hydroxy-1-benzofuran-6-carbonitrile
SMILESN#Cc1cc(O)c2cc(F)oc2c1
InChIInChI=1S/C9H4FNO2/c10-9-3-6-7(12)1-5(4-11)2-8(6)13-9/h1-3,12H
InChIKeyZGZWUFBRSDGXRB-UHFFFAOYSA-N
MW177.13 g/mol
LogP2.15
Rot. Bonds

About 2-fluoro-4-hydroxy-1-benzofuran-6-carbonitrile

2-fluoro-4-hydroxy-1-benzofuran-6-carbonitrile (PubChem CID 126649107) has the molecular formula C9H4FNO2 and a molecular weight of 177.13 g/mol. Its IUPAC name is 2-fluoro-4-hydroxy-1-benzofuran-6-carbonitrile.

Molecular Properties

Compound Name2-fluoro-4-hydroxy-1-benzofuran-6-carbonitrile
PubChem CID126649107
Molecular FormulaC9H4FNO2
Molecular Weight177.13 g/mol
Exact Mass177.02
IUPAC Name2-fluoro-4-hydroxy-1-benzofuran-6-carbonitrile
SMILESN#Cc1cc(O)c2cc(F)oc2c1
InChIInChI=1S/C9H4FNO2/c10-9-3-6-7(12)1-5(4-11)2-8(6)13-9/h1-3,12H
InChIKeyZGZWUFBRSDGXRB-UHFFFAOYSA-N
XLogP2.15
TPSA57.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.13
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Moracin M
CID 185848
Moracin C
CID 155248
Stemofuran B
CID 641364
4-Benzofuranol
CID 11607921
Albafuran B
CID 14237687
[2-(3-Fluoro-4-hydroxy-phenyl)-5-hydroxy-benzofuran-7-yl]-acetonitrile
CID 10192978
2-(3-Fluoro-4-hydroxy-phenyl)-5-hydroxy-benzofuran-7-carbonitrile
CID 10308176
(Z)-6-(3,5-Dimethoxystyryl)benzofuran-4-ol
CID 25131503
URAT1&XO inhibitor 3
CID 126667485
1-Dibenzofuranol
CID 3842559
2-Carboxy-6-(trifluoromethyl)-1-benzofuran-4-olate
CID 154732780
5-(6-Hydroxybenzofuran-2-yl)-2-(3-methylbut-1-enyl)benzene-1,3-diol
CID 71307312

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-hydroxy-1-benzofuran-6-carbonitrile?
The IUPAC name of 2-fluoro-4-hydroxy-1-benzofuran-6-carbonitrile (CID 126649107) is 2-fluoro-4-hydroxy-1-benzofuran-6-carbonitrile.
What is the SMILES notation for 2-fluoro-4-hydroxy-1-benzofuran-6-carbonitrile?
The canonical SMILES for 2-fluoro-4-hydroxy-1-benzofuran-6-carbonitrile is N#Cc1cc(O)c2cc(F)oc2c1.
What is the InChIKey of 2-fluoro-4-hydroxy-1-benzofuran-6-carbonitrile?
The InChIKey is ZGZWUFBRSDGXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4FNO2/c10-9-3-6-7(12)1-5(4-11)2-8(6)13-9/h1-3,12H.
What are the key properties of 2-fluoro-4-hydroxy-1-benzofuran-6-carbonitrile?
2-fluoro-4-hydroxy-1-benzofuran-6-carbonitrile has a molecular weight of 177.13 g/mol, XLogP of 2.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-hydroxy-1-benzofuran-6-carbonitrile is sourced from PubChem (CID 126649107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).