7-bromo-6-[[5-cyano-6-hydroxy-1-(2-methoxyethyl)-4-methyl-2-oxo-3-pyridinyl]diazenyl]-2-methyl-1,3-dioxoisoindole-5-carbonitrile

C20H15BrN6O5 — CID 137287296

IUPAC7-bromo-6-[[5-cyano-6-hydroxy-1-(2-methoxyethyl)-4-methyl-2-oxo-3-pyridinyl]diazenyl]-2-methyl-1,3-dioxoisoindole-5-carbonitrile
SMILESCOCCn1c(O)c(C#N)c(C)c(/N=N/c2c(C#N)cc3c(c2Br)C(=O)N(C)C3=O)c1=O
InChIInChI=1S/C20H15BrN6O5/c1-9-12(8-23)18(29)27(4-5-32-3)20(31)15(9)24-25-16-10(7-22)6-11-13(14(16)21)19(30)26(2)17(11)28/h6,29H,4-5H2,1-3H3/b25-24+
InChIKeySNCFOGVLCOSCQJ-OCOZRVBESA-N
MW499.28 g/mol
LogP2.66
Rot. Bonds5

About 7-bromo-6-[[5-cyano-6-hydroxy-1-(2-methoxyethyl)-4-methyl-2-oxo-3-pyridinyl]diazenyl]-2-methyl-1,3-dioxoisoindole-5-carbonitrile

7-bromo-6-[[5-cyano-6-hydroxy-1-(2-methoxyethyl)-4-methyl-2-oxo-3-pyridinyl]diazenyl]-2-methyl-1,3-dioxoisoindole-5-carbonitrile (PubChem CID 137287296) has the molecular formula C20H15BrN6O5 and a molecular weight of 499.28 g/mol. Its IUPAC name is 7-bromo-6-[[5-cyano-6-hydroxy-1-(2-methoxyethyl)-4-methyl-2-oxo-3-pyridinyl]diazenyl]-2-methyl-1,3-dioxoisoindole-5-carbonitrile.

Molecular Properties

Compound Name7-bromo-6-[[5-cyano-6-hydroxy-1-(2-methoxyethyl)-4-methyl-2-oxo-3-pyridinyl]diazenyl]-2-methyl-1,3-dioxoisoindole-5-carbonitrile
PubChem CID137287296
Molecular FormulaC20H15BrN6O5
Molecular Weight499.28 g/mol
Exact Mass498.03
IUPAC Name7-bromo-6-[[5-cyano-6-hydroxy-1-(2-methoxyethyl)-4-methyl-2-oxo-3-pyridinyl]diazenyl]-2-methyl-1,3-dioxoisoindole-5-carbonitrile
SMILESCOCCn1c(O)c(C#N)c(C)c(/N=N/c2c(C#N)cc3c(c2Br)C(=O)N(C)C3=O)c1=O
InChIInChI=1S/C20H15BrN6O5/c1-9-12(8-23)18(29)27(4-5-32-3)20(31)15(9)24-25-16-10(7-22)6-11-13(14(16)21)19(30)26(2)17(11)28/h6,29H,4-5H2,1-3H3/b25-24+
InChIKeySNCFOGVLCOSCQJ-OCOZRVBESA-N
XLogP2.66
TPSA161.14 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.28
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

7-bromo-6-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1-propyl-3-pyridinyl)diazenyl]-2-ethyl-1,3-dioxoisoindole-5-carbonitrile
CID 136960637
7-bromo-6-[(5-cyano-1-hexyl-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)diazenyl]-2-ethyl-1,3-dioxoisoindole-5-carbonitrile
CID 136960641
5-[(3,4-dimethylphenyl)diazenyl]-2-hydroxy-1-(3-methoxypropyl)-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835072
5-[(2,4-dinitrophenyl)diazenyl]-2-hydroxy-1-(2-methoxyethyl)-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835241
5-[(2-bromophenyl)diazenyl]-2-hydroxy-1-(3-methoxypropyl)-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835521
2-hydroxy-1-(3-methoxypropyl)-4-methyl-5-[(4-nitrophenyl)diazenyl]-6-oxopyridine-3-carbonitrile
CID 135835093
5-[(3-bromophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile
CID 135835967
5-[(2,4-dichlorophenyl)diazenyl]-2-hydroxy-1-(3-methoxypropyl)-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835156
2-hydroxy-1-(3-methoxypropyl)-4-methyl-5-[[4-nitro-3-(trifluoromethyl)phenyl]diazenyl]-6-oxopyridine-3-carbonitrile
CID 135835827
5-[(3,4-dimethylphenyl)diazenyl]-2-hydroxy-1-(2-hydroxyethyl)-4-methyl-6-oxopyridine-3-carbonitrile
CID 940939
2-[6-[(4-bromo-6-cyano-2-methyl-1,3-dioxoisoindol-5-yl)diazenyl]-3,4-dihydro-2H-quinolin-1-yl]ethyl acetate
CID 135224371
2-[4-[[5-cyano-6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxo-3-pyridinyl]diazenyl]phenyl]sulfonylethyl hydrogen sulfate
CID 136679307

Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-[[5-cyano-6-hydroxy-1-(2-methoxyethyl)-4-methyl-2-oxo-3-pyridinyl]diazenyl]-2-methyl-1,3-dioxoisoindole-5-carbonitrile?
The IUPAC name of 7-bromo-6-[[5-cyano-6-hydroxy-1-(2-methoxyethyl)-4-methyl-2-oxo-3-pyridinyl]diazenyl]-2-methyl-1,3-dioxoisoindole-5-carbonitrile (CID 137287296) is 7-bromo-6-[[5-cyano-6-hydroxy-1-(2-methoxyethyl)-4-methyl-2-oxo-3-pyridinyl]diazenyl]-2-methyl-1,3-dioxoisoindole-5-carbonitrile.
What is the SMILES notation for 7-bromo-6-[[5-cyano-6-hydroxy-1-(2-methoxyethyl)-4-methyl-2-oxo-3-pyridinyl]diazenyl]-2-methyl-1,3-dioxoisoindole-5-carbonitrile?
The canonical SMILES for 7-bromo-6-[[5-cyano-6-hydroxy-1-(2-methoxyethyl)-4-methyl-2-oxo-3-pyridinyl]diazenyl]-2-methyl-1,3-dioxoisoindole-5-carbonitrile is COCCn1c(O)c(C#N)c(C)c(/N=N/c2c(C#N)cc3c(c2Br)C(=O)N(C)C3=O)c1=O.
What is the InChIKey of 7-bromo-6-[[5-cyano-6-hydroxy-1-(2-methoxyethyl)-4-methyl-2-oxo-3-pyridinyl]diazenyl]-2-methyl-1,3-dioxoisoindole-5-carbonitrile?
The InChIKey is SNCFOGVLCOSCQJ-OCOZRVBESA-N. The full InChI is InChI=1S/C20H15BrN6O5/c1-9-12(8-23)18(29)27(4-5-32-3)20(31)15(9)24-25-16-10(7-22)6-11-13(14(16)21)19(30)26(2)17(11)28/h6,29H,4-5H2,1-3H3/b25-24+.
What are the key properties of 7-bromo-6-[[5-cyano-6-hydroxy-1-(2-methoxyethyl)-4-methyl-2-oxo-3-pyridinyl]diazenyl]-2-methyl-1,3-dioxoisoindole-5-carbonitrile?
7-bromo-6-[[5-cyano-6-hydroxy-1-(2-methoxyethyl)-4-methyl-2-oxo-3-pyridinyl]diazenyl]-2-methyl-1,3-dioxoisoindole-5-carbonitrile has a molecular weight of 499.28 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-[[5-cyano-6-hydroxy-1-(2-methoxyethyl)-4-methyl-2-oxo-3-pyridinyl]diazenyl]-2-methyl-1,3-dioxoisoindole-5-carbonitrile is sourced from PubChem (CID 137287296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).