4-(4-bromophenyl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonitrile

C16H9BrN2O2 — CID 82639516

IUPAC4-(4-bromophenyl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(Br)cc2)cc(-c2ccco2)[nH]c1=O
InChIInChI=1S/C16H9BrN2O2/c17-11-5-3-10(4-6-11)12-8-14(15-2-1-7-21-15)19-16(20)13(12)9-18/h1-8H,(H,19,20)
InChIKeyHQFIGUBVFXTJNI-UHFFFAOYSA-N
MW341.16 g/mol
LogP3.94
Rot. Bonds2

About 4-(4-bromophenyl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonitrile

4-(4-bromophenyl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 82639516) has the molecular formula C16H9BrN2O2 and a molecular weight of 341.16 g/mol. Its IUPAC name is 4-(4-bromophenyl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-bromophenyl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID82639516
Molecular FormulaC16H9BrN2O2
Molecular Weight341.16 g/mol
Exact Mass339.98
IUPAC Name4-(4-bromophenyl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(Br)cc2)cc(-c2ccco2)[nH]c1=O
InChIInChI=1S/C16H9BrN2O2/c17-11-5-3-10(4-6-11)12-8-14(15-2-1-7-21-15)19-16(20)13(12)9-18/h1-8H,(H,19,20)
InChIKeyHQFIGUBVFXTJNI-UHFFFAOYSA-N
XLogP3.94
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.16
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(4-bromophenyl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonitrile (CID 82639516) is 4-(4-bromophenyl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-bromophenyl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(4-bromophenyl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonitrile is N#Cc1c(-c2ccc(Br)cc2)cc(-c2ccco2)[nH]c1=O.
What is the InChIKey of 4-(4-bromophenyl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is HQFIGUBVFXTJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrN2O2/c17-11-5-3-10(4-6-11)12-8-14(15-2-1-7-21-15)19-16(20)13(12)9-18/h1-8H,(H,19,20).
What are the key properties of 4-(4-bromophenyl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonitrile?
4-(4-bromophenyl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 341.16 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 82639516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).