6-fluoro-7-piperazin-1-yl-1-benzofuran-5-carbonitrile

C13H12FN3O — CID 10221371

IUPAC6-fluoro-7-piperazin-1-yl-1-benzofuran-5-carbonitrile
SMILESN#Cc1cc2ccoc2c(N2CCNCC2)c1F
InChIInChI=1S/C13H12FN3O/c14-11-10(8-15)7-9-1-6-18-13(9)12(11)17-4-2-16-3-5-17/h1,6-7,16H,2-5H2
InChIKeyUZQIWNWJXRWQSU-UHFFFAOYSA-N
MW245.26 g/mol
LogP1.85
Rot. Bonds1

About 6-fluoro-7-piperazin-1-yl-1-benzofuran-5-carbonitrile

6-fluoro-7-piperazin-1-yl-1-benzofuran-5-carbonitrile (PubChem CID 10221371) has the molecular formula C13H12FN3O and a molecular weight of 245.26 g/mol. Its IUPAC name is 6-fluoro-7-piperazin-1-yl-1-benzofuran-5-carbonitrile.

Molecular Properties

Compound Name6-fluoro-7-piperazin-1-yl-1-benzofuran-5-carbonitrile
PubChem CID10221371
Molecular FormulaC13H12FN3O
Molecular Weight245.26 g/mol
Exact Mass245.10
IUPAC Name6-fluoro-7-piperazin-1-yl-1-benzofuran-5-carbonitrile
SMILESN#Cc1cc2ccoc2c(N2CCNCC2)c1F
InChIInChI=1S/C13H12FN3O/c14-11-10(8-15)7-9-1-6-18-13(9)12(11)17-4-2-16-3-5-17/h1,6-7,16H,2-5H2
InChIKeyUZQIWNWJXRWQSU-UHFFFAOYSA-N
XLogP1.85
TPSA52.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-7-piperazin-1-ylquinoline-3-carbonitrile
CID 174718913
2-fluoro-3-methyl-4-piperazin-1-ylbenzonitrile
CID 177332812
1-(2,3,5,6-tetrafluoro-4-piperazin-1-ylphenyl)piperazine
CID 74891876
1-(2,3,5,6-tetrafluorophenyl)piperazine
CID 21363751
5-phenyl-3-piperazin-1-yl-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 44625997
6-fluoro-1-benzofuran-5-carbonitrile
CID 117276102
6-methyl-5-phenyl-2-piperazin-1-ylpyridine-3-carbonitrile
CID 14011873
(3S)-1-(7-fluoro-1-benzofuran-5-yl)-3-methylpiperazine
CID 23402464
2-methyl-5-piperazin-1-ylbenzonitrile
CID 84670211
(7-piperazin-1-yl-1-benzofuran-5-yl)urea
CID 140512107
ethane;2-piperazin-1-ylbenzonitrile
CID 91561805
1-(5-fluoro-1-benzofuran-7-yl)-2-methylpiperazine
CID 22277293

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-piperazin-1-yl-1-benzofuran-5-carbonitrile?
The IUPAC name of 6-fluoro-7-piperazin-1-yl-1-benzofuran-5-carbonitrile (CID 10221371) is 6-fluoro-7-piperazin-1-yl-1-benzofuran-5-carbonitrile.
What is the SMILES notation for 6-fluoro-7-piperazin-1-yl-1-benzofuran-5-carbonitrile?
The canonical SMILES for 6-fluoro-7-piperazin-1-yl-1-benzofuran-5-carbonitrile is N#Cc1cc2ccoc2c(N2CCNCC2)c1F.
What is the InChIKey of 6-fluoro-7-piperazin-1-yl-1-benzofuran-5-carbonitrile?
The InChIKey is UZQIWNWJXRWQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O/c14-11-10(8-15)7-9-1-6-18-13(9)12(11)17-4-2-16-3-5-17/h1,6-7,16H,2-5H2.
What are the key properties of 6-fluoro-7-piperazin-1-yl-1-benzofuran-5-carbonitrile?
6-fluoro-7-piperazin-1-yl-1-benzofuran-5-carbonitrile has a molecular weight of 245.26 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-piperazin-1-yl-1-benzofuran-5-carbonitrile is sourced from PubChem (CID 10221371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).