5-[(2-bromophenyl)diazenyl]-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile

C15H13BrN4O2 — CID 135835511

IUPAC5-[(2-bromophenyl)diazenyl]-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
SMILESCCn1c(O)c(C#N)c(C)c(/N=N/c2ccccc2Br)c1=O
InChIInChI=1S/C15H13BrN4O2/c1-3-20-14(21)10(8-17)9(2)13(15(20)22)19-18-12-7-5-4-6-11(12)16/h4-7,21H,3H2,1-2H3/b19-18+
InChIKeyDKISFMIVSFBBDB-VHEBQXMUSA-N
MW361.20 g/mol
LogP3.93
Rot. Bonds3

About 5-[(2-bromophenyl)diazenyl]-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile

5-[(2-bromophenyl)diazenyl]-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile (PubChem CID 135835511) has the molecular formula C15H13BrN4O2 and a molecular weight of 361.20 g/mol. Its IUPAC name is 5-[(2-bromophenyl)diazenyl]-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[(2-bromophenyl)diazenyl]-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
PubChem CID135835511
Molecular FormulaC15H13BrN4O2
Molecular Weight361.20 g/mol
Exact Mass360.02
IUPAC Name5-[(2-bromophenyl)diazenyl]-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
SMILESCCn1c(O)c(C#N)c(C)c(/N=N/c2ccccc2Br)c1=O
InChIInChI=1S/C15H13BrN4O2/c1-3-20-14(21)10(8-17)9(2)13(15(20)22)19-18-12-7-5-4-6-11(12)16/h4-7,21H,3H2,1-2H3/b19-18+
InChIKeyDKISFMIVSFBBDB-VHEBQXMUSA-N
XLogP3.93
TPSA90.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.20
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromophenyl)diazenyl]-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
The IUPAC name of 5-[(2-bromophenyl)diazenyl]-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile (CID 135835511) is 5-[(2-bromophenyl)diazenyl]-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-[(2-bromophenyl)diazenyl]-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-[(2-bromophenyl)diazenyl]-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile is CCn1c(O)c(C#N)c(C)c(/N=N/c2ccccc2Br)c1=O.
What is the InChIKey of 5-[(2-bromophenyl)diazenyl]-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
The InChIKey is DKISFMIVSFBBDB-VHEBQXMUSA-N. The full InChI is InChI=1S/C15H13BrN4O2/c1-3-20-14(21)10(8-17)9(2)13(15(20)22)19-18-12-7-5-4-6-11(12)16/h4-7,21H,3H2,1-2H3/b19-18+.
What are the key properties of 5-[(2-bromophenyl)diazenyl]-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
5-[(2-bromophenyl)diazenyl]-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile has a molecular weight of 361.20 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromophenyl)diazenyl]-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile is sourced from PubChem (CID 135835511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).