5-bromo-2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]benzoic acid

C14H9BrN4O4 — CID 2025368

IUPAC5-bromo-2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]benzoic acid
SMILESCc1c(C#N)c(O)[nH]c(=O)c1/N=N/c1ccc(Br)cc1C(=O)O
InChIInChI=1S/C14H9BrN4O4/c1-6-9(5-16)12(20)17-13(21)11(6)19-18-10-3-2-7(15)4-8(10)14(22)23/h2-4H,1H3,(H,22,23)(H2,17,20,21)/b19-18+
InChIKeyQQLAEODVSPSLHM-VHEBQXMUSA-N
MW377.15 g/mol
LogP3.14
Rot. Bonds3

About 5-bromo-2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]benzoic acid

5-bromo-2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]benzoic acid (PubChem CID 2025368) has the molecular formula C14H9BrN4O4 and a molecular weight of 377.15 g/mol. Its IUPAC name is 5-bromo-2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]benzoic acid.

Molecular Properties

Compound Name5-bromo-2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]benzoic acid
PubChem CID2025368
Molecular FormulaC14H9BrN4O4
Molecular Weight377.15 g/mol
Exact Mass375.98
IUPAC Name5-bromo-2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]benzoic acid
SMILESCc1c(C#N)c(O)[nH]c(=O)c1/N=N/c1ccc(Br)cc1C(=O)O
InChIInChI=1S/C14H9BrN4O4/c1-6-9(5-16)12(20)17-13(21)11(6)19-18-10-3-2-7(15)4-8(10)14(22)23/h2-4H,1H3,(H,22,23)(H2,17,20,21)/b19-18+
InChIKeyQQLAEODVSPSLHM-VHEBQXMUSA-N
XLogP3.14
TPSA138.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.15
LogP ≤ 53.14
H-Bond Donors ≤ 53
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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Launch Full Analysis

Related Compounds

2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]benzamide
CID 137062042
3-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]-1H-1,2,4-triazole-5-carboxylic acid
CID 135733671
5-[(4-bromo-2-methylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione
CID 4615917
2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;methane
CID 159881339
5-[(4-bromo-2-methylphenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 4166133
2-hydroxy-4-methyl-6-oxo-5-[[2-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]diazenyl]-1H-pyridine-3-carbonitrile
CID 135755700
5-bromo-4-cyano-2-hydroxy-3-methylbenzoic acid
CID 118468259
N,N-bis(3-amino-2-ethylhexyl)-2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]benzenesulfonamide
CID 137128380
2-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile
CID 165415929
5-[(2-chlorophenyl)diazenyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
CID 136677013
4-(5-bromo-2-fluorophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
CID 116862206
5-[(2,4-dimethoxyphenyl)diazenyl]-4-methyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
CID 136677012

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]benzoic acid?
The IUPAC name of 5-bromo-2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]benzoic acid (CID 2025368) is 5-bromo-2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]benzoic acid.
What is the SMILES notation for 5-bromo-2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]benzoic acid?
The canonical SMILES for 5-bromo-2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]benzoic acid is Cc1c(C#N)c(O)[nH]c(=O)c1/N=N/c1ccc(Br)cc1C(=O)O.
What is the InChIKey of 5-bromo-2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]benzoic acid?
The InChIKey is QQLAEODVSPSLHM-VHEBQXMUSA-N. The full InChI is InChI=1S/C14H9BrN4O4/c1-6-9(5-16)12(20)17-13(21)11(6)19-18-10-3-2-7(15)4-8(10)14(22)23/h2-4H,1H3,(H,22,23)(H2,17,20,21)/b19-18+.
What are the key properties of 5-bromo-2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]benzoic acid?
5-bromo-2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]benzoic acid has a molecular weight of 377.15 g/mol, XLogP of 3.14, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]benzoic acid is sourced from PubChem (CID 2025368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).