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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Related Compounds

3-(5-(4-Bromophenyl)-2-furyl)-N-phenylpropanamide
CID 24212772
3-(5-(4-Bromophenyl)-2-furyl)-N-(4-ethoxyphenyl)propanamide
CID 24212774
N-Benzyl-3-(5-(4-bromophenyl)-2-furyl)propanamide
CID 24212792
N-[1-(aminocarbonyl)-2-(2-furyl)vinyl]-4-bromobenzamide
CID 797668
4-(4-Bromophenyl)-2-hydroxy-6-(furan-2-yl) nicotinonitrile
CID 82639516
2-{[3,5-Dicyano-4-(2-furyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]seleno}-n-phenylacetamide
CID 129877831
3-cyano-4-(furan-2-yl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyridine-5-carboxamide
CID 135070492
5-(4-Bromophenyl)-2-cyano-3-(furan-2-yl)-5-oxopentanamide
CID 157010788
5-(4-Bromophenyl)-2-cyano-3-(5-methylfuran-2-yl)-5-oxopentanamide
CID 157010798
N-(2-bromophenyl)-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide
CID 110296234
N-{2-[5-(4-bromophenyl)-2-furyl]-1-[(tert-butylamino)carbonyl]vinyl}benzamide
CID 1595373
3-[5-(4-bromophenyl)-2-furyl]-2-cyano-N-(4-methoxyphenyl)acrylamide
CID 2188253

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).