4-(4-chlorophenyl)-2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-6-oxo-1H-pyrimidine-5-carbonitrile

C19H11ClN6O2 — CID 165415908

IUPAC4-(4-chlorophenyl)-2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-6-oxo-1H-pyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccc(Cl)cc2)nc(/N=N/c2c(O)[nH]c3ccccc23)[nH]c1=O
InChIInChI=1S/C19H11ClN6O2/c20-11-7-5-10(6-8-11)15-13(9-21)17(27)24-19(23-15)26-25-16-12-3-1-2-4-14(12)22-18(16)28/h1-8,22,28H,(H,23,24,27)/b26-25+
InChIKeyFNWXMNYVBIMRQY-OCEACIFDSA-N
MW390.79 g/mol
LogP4.56
Rot. Bonds3

About 4-(4-chlorophenyl)-2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-6-oxo-1H-pyrimidine-5-carbonitrile

4-(4-chlorophenyl)-2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-6-oxo-1H-pyrimidine-5-carbonitrile (PubChem CID 165415908) has the molecular formula C19H11ClN6O2 and a molecular weight of 390.79 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-6-oxo-1H-pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-6-oxo-1H-pyrimidine-5-carbonitrile
PubChem CID165415908
Molecular FormulaC19H11ClN6O2
Molecular Weight390.79 g/mol
Exact Mass390.06
IUPAC Name4-(4-chlorophenyl)-2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-6-oxo-1H-pyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccc(Cl)cc2)nc(/N=N/c2c(O)[nH]c3ccccc23)[nH]c1=O
InChIInChI=1S/C19H11ClN6O2/c20-11-7-5-10(6-8-11)15-13(9-21)17(27)24-19(23-15)26-25-16-12-3-1-2-4-14(12)22-18(16)28/h1-8,22,28H,(H,23,24,27)/b26-25+
InChIKeyFNWXMNYVBIMRQY-OCEACIFDSA-N
XLogP4.56
TPSA130.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.79
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'cyano_pyridone_B(27)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile
CID 165415929
2-amino-4-[2-(4-chlorophenyl)-1H-indol-3-yl]-6-oxo-1H-pyrimidine-5-carbonitrile
CID 139220923
4-(4-chlorophenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile
CID 139921187
3-[(2-hydroxy-1H-indol-3-yl)diazenyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135455472
3-[(5-chloro-2-methylphenyl)diazenyl]-1H-indol-2-ol
CID 136860025
3-[(6-chloro-2-pyridinyl)diazenyl]-1H-indol-2-ol
CID 135659249
4-(4-chlorophenyl)-2-ethylsulfanyl-6-oxo-1H-pyrimidine-5-carbonitrile
CID 135667133
3-[(3,5,6-trichloro-2-pyridinyl)diazenyl]-1H-indol-2-ol
CID 3629318
4-(4-chlorophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
CID 13403846
6-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carbonitrile
CID 54699044
4-(4-chlorophenyl)-2-(2-methylprop-2-enylsulfanyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 135667136
2-(4-chlorophenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]propanamide
CID 4634014

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-6-oxo-1H-pyrimidine-5-carbonitrile?
The IUPAC name of 4-(4-chlorophenyl)-2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-6-oxo-1H-pyrimidine-5-carbonitrile (CID 165415908) is 4-(4-chlorophenyl)-2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-6-oxo-1H-pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(4-chlorophenyl)-2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-6-oxo-1H-pyrimidine-5-carbonitrile?
The canonical SMILES for 4-(4-chlorophenyl)-2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-6-oxo-1H-pyrimidine-5-carbonitrile is N#Cc1c(-c2ccc(Cl)cc2)nc(/N=N/c2c(O)[nH]c3ccccc23)[nH]c1=O.
What is the InChIKey of 4-(4-chlorophenyl)-2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-6-oxo-1H-pyrimidine-5-carbonitrile?
The InChIKey is FNWXMNYVBIMRQY-OCEACIFDSA-N. The full InChI is InChI=1S/C19H11ClN6O2/c20-11-7-5-10(6-8-11)15-13(9-21)17(27)24-19(23-15)26-25-16-12-3-1-2-4-14(12)22-18(16)28/h1-8,22,28H,(H,23,24,27)/b26-25+.
What are the key properties of 4-(4-chlorophenyl)-2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-6-oxo-1H-pyrimidine-5-carbonitrile?
4-(4-chlorophenyl)-2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-6-oxo-1H-pyrimidine-5-carbonitrile has a molecular weight of 390.79 g/mol, XLogP of 4.56, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-6-oxo-1H-pyrimidine-5-carbonitrile is sourced from PubChem (CID 165415908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).