4-(4-hydroxy-3-methoxyphenyl)-6-(4-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile

C19H13N3O5 — CID 19656503

IUPAC4-(4-hydroxy-3-methoxyphenyl)-6-(4-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCOc1cc(-c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]c(=O)c2C#N)ccc1O
InChIInChI=1S/C19H13N3O5/c1-27-18-8-12(4-7-17(18)23)14-9-16(21-19(24)15(14)10-20)11-2-5-13(6-3-11)22(25)26/h2-9,23H,1H3,(H,21,24)
InChIKeyFJNMHFNHFUGFRR-UHFFFAOYSA-N
MW363.33 g/mol
LogP3.20
Rot. Bonds4

About 4-(4-hydroxy-3-methoxyphenyl)-6-(4-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile

4-(4-hydroxy-3-methoxyphenyl)-6-(4-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 19656503) has the molecular formula C19H13N3O5 and a molecular weight of 363.33 g/mol. Its IUPAC name is 4-(4-hydroxy-3-methoxyphenyl)-6-(4-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-hydroxy-3-methoxyphenyl)-6-(4-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID19656503
Molecular FormulaC19H13N3O5
Molecular Weight363.33 g/mol
Exact Mass363.09
IUPAC Name4-(4-hydroxy-3-methoxyphenyl)-6-(4-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCOc1cc(-c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]c(=O)c2C#N)ccc1O
InChIInChI=1S/C19H13N3O5/c1-27-18-8-12(4-7-17(18)23)14-9-16(21-19(24)15(14)10-20)11-2-5-13(6-3-11)22(25)26/h2-9,23H,1H3,(H,21,24)
InChIKeyFJNMHFNHFUGFRR-UHFFFAOYSA-N
XLogP3.20
TPSA129.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.33
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(4-nitrophenyl)-2-oxo-4-(3,4,5-trimethoxyphenyl)-1H-pyridine-3-carbonitrile
CID 19656837
6-(2,4-dimethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656504
4,6-bis(3-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656735
6-(3,4-dimethoxyphenyl)-4-(5-nitrofuran-2-yl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19657141
4-(4-bromo-5-methylthiophen-2-yl)-6-(4-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656686
1-[4-[5-cyano-4-(4-nitrophenyl)-6-oxo-1H-pyridin-2-yl]phenyl]-3-phenylurea
CID 177377171
6-(4-aminophenyl)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656714
methyl 5-[6-(4-chlorophenyl)-3-cyano-2-oxo-1H-pyridin-4-yl]-2-hydroxybenzoate
CID 10619808
4-(4-methoxyphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 2825970
4-(4-nitrophenyl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile
CID 19656741
6-(3,4-dichlorophenyl)-2-oxo-4-(3,4,5-trimethoxyphenyl)-1H-pyridine-3-carbonitrile
CID 19656829
ethane;2-methoxy-4-nitrophenol
CID 91188946

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-3-methoxyphenyl)-6-(4-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(4-hydroxy-3-methoxyphenyl)-6-(4-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile (CID 19656503) is 4-(4-hydroxy-3-methoxyphenyl)-6-(4-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-hydroxy-3-methoxyphenyl)-6-(4-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(4-hydroxy-3-methoxyphenyl)-6-(4-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile is COc1cc(-c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]c(=O)c2C#N)ccc1O.
What is the InChIKey of 4-(4-hydroxy-3-methoxyphenyl)-6-(4-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is FJNMHFNHFUGFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O5/c1-27-18-8-12(4-7-17(18)23)14-9-16(21-19(24)15(14)10-20)11-2-5-13(6-3-11)22(25)26/h2-9,23H,1H3,(H,21,24).
What are the key properties of 4-(4-hydroxy-3-methoxyphenyl)-6-(4-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile?
4-(4-hydroxy-3-methoxyphenyl)-6-(4-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 363.33 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-3-methoxyphenyl)-6-(4-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 19656503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).