3-[(2,6-dimethylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid

C16H14N4O2 — CID 82355477

IUPAC3-[(2,6-dimethylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCc1cccc(C)c1/N=N/c1c(C(=O)O)nc2ccccn12
InChIInChI=1S/C16H14N4O2/c1-10-6-5-7-11(2)13(10)18-19-15-14(16(21)22)17-12-8-3-4-9-20(12)15/h3-9H,1-2H3,(H,21,22)/b19-18+
InChIKeyGTBOMYBEPRDSJI-VHEBQXMUSA-N
MW294.31 g/mol
LogP4.06
Rot. Bonds3

About 3-[(2,6-dimethylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid

3-[(2,6-dimethylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 82355477) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 3-[(2,6-dimethylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2,6-dimethylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID82355477
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name3-[(2,6-dimethylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCc1cccc(C)c1/N=N/c1c(C(=O)O)nc2ccccn12
InChIInChI=1S/C16H14N4O2/c1-10-6-5-7-11(2)13(10)18-19-15-14(16(21)22)17-12-8-3-4-9-20(12)15/h3-9H,1-2H3,(H,21,22)/b19-18+
InChIKeyGTBOMYBEPRDSJI-VHEBQXMUSA-N
XLogP4.06
TPSA79.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-cyanophenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 82355476
7-methyl-3-[(2-methylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 82355529
2-[(2-methylimidazo[1,2-a]pyridin-3-yl)diazenyl]benzoic acid
CID 82355458
3-[(3-hydroxyphenyl)diazenyl]-7-methylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 82355527
3-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;hydrochloride
CID 140866988
3-[(dimethylamino)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 39121627
1-(3-methylimidazo[1,2-a]pyridin-2-yl)ethanone
CID 84654901
3-cyanoimidazo[1,2-a]pyridine-2-carboxylic acid
CID 22335044
3-ethyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 22308053
3-[(2,6-dimethylphenyl)diazenyl]-2-methylimidazo[1,2-a]pyridin-8-ol
CID 82355705
3-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 142784458
3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 39121604

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dimethylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(2,6-dimethylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid (CID 82355477) is 3-[(2,6-dimethylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(2,6-dimethylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(2,6-dimethylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid is Cc1cccc(C)c1/N=N/c1c(C(=O)O)nc2ccccn12.
What is the InChIKey of 3-[(2,6-dimethylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is GTBOMYBEPRDSJI-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-10-6-5-7-11(2)13(10)18-19-15-14(16(21)22)17-12-8-3-4-9-20(12)15/h3-9H,1-2H3,(H,21,22)/b19-18+.
What are the key properties of 3-[(2,6-dimethylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid?
3-[(2,6-dimethylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dimethylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 82355477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).