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

C16H11BrN2O2 — CID 23851364

IUPAC6-(4-bromophenyl)-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridine-3-carbonitrile
SMILESN#CC1C(=O)NC(c2ccc(Br)cc2)=CC1c1ccco1
InChIInChI=1S/C16H11BrN2O2/c17-11-5-3-10(4-6-11)14-8-12(15-2-1-7-21-15)13(9-18)16(20)19-14/h1-8,12-13H,(H,19,20)
InChIKeyQQOKEBRPRCJICG-UHFFFAOYSA-N
MW343.18 g/mol
LogP3.44
Rot. Bonds2

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

6-(4-bromophenyl)-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridine-3-carbonitrile (PubChem CID 23851364) has the molecular formula C16H11BrN2O2 and a molecular weight of 343.18 g/mol. Its IUPAC name is 6-(4-bromophenyl)-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-bromophenyl)-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridine-3-carbonitrile
PubChem CID23851364
Molecular FormulaC16H11BrN2O2
Molecular Weight343.18 g/mol
Exact Mass342.00
IUPAC Name6-(4-bromophenyl)-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridine-3-carbonitrile
SMILESN#CC1C(=O)NC(c2ccc(Br)cc2)=CC1c1ccco1
InChIInChI=1S/C16H11BrN2O2/c17-11-5-3-10(4-6-11)14-8-12(15-2-1-7-21-15)13(9-18)16(20)19-14/h1-8,12-13H,(H,19,20)
InChIKeyQQOKEBRPRCJICG-UHFFFAOYSA-N
XLogP3.44
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.18
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-(4-bromophenyl)-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridine-3-carbonitrile (CID 23851364) is 6-(4-bromophenyl)-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-bromophenyl)-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-(4-bromophenyl)-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridine-3-carbonitrile is N#CC1C(=O)NC(c2ccc(Br)cc2)=CC1c1ccco1.
What is the InChIKey of 6-(4-bromophenyl)-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridine-3-carbonitrile?
The InChIKey is QQOKEBRPRCJICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2O2/c17-11-5-3-10(4-6-11)14-8-12(15-2-1-7-21-15)13(9-18)16(20)19-14/h1-8,12-13H,(H,19,20).
What are the key properties of 6-(4-bromophenyl)-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridine-3-carbonitrile?
6-(4-bromophenyl)-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridine-3-carbonitrile has a molecular weight of 343.18 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 23851364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).