5-bromo-6-fluoro-1-benzofuran-2-carbonitrile

C9H3BrFNO — CID 115410664

IUPAC5-bromo-6-fluoro-1-benzofuran-2-carbonitrile
SMILESN#Cc1cc2cc(Br)c(F)cc2o1
InChIInChI=1S/C9H3BrFNO/c10-7-2-5-1-6(4-12)13-9(5)3-8(7)11/h1-3H
InChIKeyCNVYZIBLDPCUKU-UHFFFAOYSA-N
MW240.03 g/mol
LogP3.21
Rot. Bonds

About 5-bromo-6-fluoro-1-benzofuran-2-carbonitrile

5-bromo-6-fluoro-1-benzofuran-2-carbonitrile (PubChem CID 115410664) has the molecular formula C9H3BrFNO and a molecular weight of 240.03 g/mol. Its IUPAC name is 5-bromo-6-fluoro-1-benzofuran-2-carbonitrile.

Molecular Properties

Compound Name5-bromo-6-fluoro-1-benzofuran-2-carbonitrile
PubChem CID115410664
Molecular FormulaC9H3BrFNO
Molecular Weight240.03 g/mol
Exact Mass238.94
IUPAC Name5-bromo-6-fluoro-1-benzofuran-2-carbonitrile
SMILESN#Cc1cc2cc(Br)c(F)cc2o1
InChIInChI=1S/C9H3BrFNO/c10-7-2-5-1-6(4-12)13-9(5)3-8(7)11/h1-3H
InChIKeyCNVYZIBLDPCUKU-UHFFFAOYSA-N
XLogP3.21
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.03
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-1-benzofuran-2-carbonitrile?
The IUPAC name of 5-bromo-6-fluoro-1-benzofuran-2-carbonitrile (CID 115410664) is 5-bromo-6-fluoro-1-benzofuran-2-carbonitrile.
What is the SMILES notation for 5-bromo-6-fluoro-1-benzofuran-2-carbonitrile?
The canonical SMILES for 5-bromo-6-fluoro-1-benzofuran-2-carbonitrile is N#Cc1cc2cc(Br)c(F)cc2o1.
What is the InChIKey of 5-bromo-6-fluoro-1-benzofuran-2-carbonitrile?
The InChIKey is CNVYZIBLDPCUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3BrFNO/c10-7-2-5-1-6(4-12)13-9(5)3-8(7)11/h1-3H.
What are the key properties of 5-bromo-6-fluoro-1-benzofuran-2-carbonitrile?
5-bromo-6-fluoro-1-benzofuran-2-carbonitrile has a molecular weight of 240.03 g/mol, XLogP of 3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-1-benzofuran-2-carbonitrile is sourced from PubChem (CID 115410664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).