6-(furan-2-yl)-5-iodo-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile

C17H11IN2O3 — CID 139755848

IUPAC6-(furan-2-yl)-5-iodo-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCOc1ccc(-c2c(I)c(-c3ccco3)[nH]c(=O)c2C#N)cc1
InChIInChI=1S/C17H11IN2O3/c1-22-11-6-4-10(5-7-11)14-12(9-19)17(21)20-16(15(14)18)13-3-2-8-23-13/h2-8H,1H3,(H,20,21)
InChIKeyDRPOKYHPEWGAOK-UHFFFAOYSA-N
MW418.19 g/mol
LogP3.79
Rot. Bonds3

About 6-(furan-2-yl)-5-iodo-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile

6-(furan-2-yl)-5-iodo-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 139755848) has the molecular formula C17H11IN2O3 and a molecular weight of 418.19 g/mol. Its IUPAC name is 6-(furan-2-yl)-5-iodo-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(furan-2-yl)-5-iodo-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID139755848
Molecular FormulaC17H11IN2O3
Molecular Weight418.19 g/mol
Exact Mass417.98
IUPAC Name6-(furan-2-yl)-5-iodo-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCOc1ccc(-c2c(I)c(-c3ccco3)[nH]c(=O)c2C#N)cc1
InChIInChI=1S/C17H11IN2O3/c1-22-11-6-4-10(5-7-11)14-12(9-19)17(21)20-16(15(14)18)13-3-2-8-23-13/h2-8H,1H3,(H,20,21)
InChIKeyDRPOKYHPEWGAOK-UHFFFAOYSA-N
XLogP3.79
TPSA79.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.19
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

6-(4-methoxyphenyl)-4,5-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
CID 82120081
4-(4-methoxyphenyl)-6-methyl-2-oxo-5-propan-2-yl-1H-pyridine-3-carbonitrile
CID 23828687
2-amino-4-[3-(4-methoxyphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393882
2-(4-methylphenyl)-6-oxo-4-phenyl-1H-pyridine-3,5-dicarbonitrile
CID 12550717
2-amino-4-[3-(furan-2-yl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393411
7-methoxy-2-oxo-4-phenyl-1H-quinoline-3-carbonitrile
CID 86683080
4-(furan-2-yl)-2-oxo-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile
CID 2816448
4-(furan-2-yl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile
CID 82080953
2-amino-4-[2-(4-methoxyphenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393402
4-(furan-2-yl)-5-methanimidoyl-2-oxo-6-sulfanyl-1H-pyridine-3-carbonitrile
CID 137161096
3,4-bis(furan-2-yl)-6-oxo-1H-pyridazine-5-carbonitrile
CID 10106289
4-[4-[3-cyano-6-(furan-2-yl)-2-methoxy-4-pyridinyl]phenyl]-6-(furan-2-yl)-2-methoxypyridine-3-carbonitrile
CID 14950543

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-5-iodo-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-(furan-2-yl)-5-iodo-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile (CID 139755848) is 6-(furan-2-yl)-5-iodo-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-(furan-2-yl)-5-iodo-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-(furan-2-yl)-5-iodo-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile is COc1ccc(-c2c(I)c(-c3ccco3)[nH]c(=O)c2C#N)cc1.
What is the InChIKey of 6-(furan-2-yl)-5-iodo-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is DRPOKYHPEWGAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11IN2O3/c1-22-11-6-4-10(5-7-11)14-12(9-19)17(21)20-16(15(14)18)13-3-2-8-23-13/h2-8H,1H3,(H,20,21).
What are the key properties of 6-(furan-2-yl)-5-iodo-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
6-(furan-2-yl)-5-iodo-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 418.19 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-5-iodo-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 139755848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).