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

C15H9N5O2 — CID 82355476

IUPAC3-[(3-cyanophenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESN#Cc1cccc(/N=N/c2c(C(=O)O)nc3ccccn23)c1
InChIInChI=1S/C15H9N5O2/c16-9-10-4-3-5-11(8-10)18-19-14-13(15(21)22)17-12-6-1-2-7-20(12)14/h1-8H,(H,21,22)/b19-18+
InChIKeySHFLCUHJCPXLNA-VHEBQXMUSA-N
MW291.27 g/mol
LogP3.32
Rot. Bonds3

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

3-[(3-cyanophenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 82355476) has the molecular formula C15H9N5O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is 3-[(3-cyanophenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3-cyanophenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID82355476
Molecular FormulaC15H9N5O2
Molecular Weight291.27 g/mol
Exact Mass291.08
IUPAC Name3-[(3-cyanophenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESN#Cc1cccc(/N=N/c2c(C(=O)O)nc3ccccn23)c1
InChIInChI=1S/C15H9N5O2/c16-9-10-4-3-5-11(8-10)18-19-14-13(15(21)22)17-12-6-1-2-7-20(12)14/h1-8H,(H,21,22)/b19-18+
InChIKeySHFLCUHJCPXLNA-VHEBQXMUSA-N
XLogP3.32
TPSA103.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 53.32
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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Related Compounds

3-[(2,6-dimethylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 82355477
3-cyanoimidazo[1,2-a]pyridine-2-carboxylic acid
CID 22335044
3-[(3-hydroxyphenyl)diazenyl]-7-methylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 82355527
5-methyl-3-[(3-methylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 82355566
3-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;hydrochloride
CID 140866988
7-methyl-3-[(2-methylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 82355529
3-[4-(2-phenylimidazo[1,2-a]pyridine-3-carbonyl)piperazin-1-yl]benzonitrile
CID 59984542
3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzonitrile
CID 139230149
2-[(2-methylimidazo[1,2-a]pyridin-3-yl)diazenyl]benzoic acid
CID 82355458
3-[(dimethylamino)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 39121627
2-[(3-cyanobenzoyl)amino]-N-propan-2-ylimidazo[1,2-a]pyridine-3-carboxamide
CID 155556850
3-[(3-cyanophenyl)diazenyl]-4-oxo-1H-quinoline-2-carboxylic acid
CID 136638331

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyanophenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(3-cyanophenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid (CID 82355476) is 3-[(3-cyanophenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(3-cyanophenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(3-cyanophenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid is N#Cc1cccc(/N=N/c2c(C(=O)O)nc3ccccn23)c1.
What is the InChIKey of 3-[(3-cyanophenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is SHFLCUHJCPXLNA-VHEBQXMUSA-N. The full InChI is InChI=1S/C15H9N5O2/c16-9-10-4-3-5-11(8-10)18-19-14-13(15(21)22)17-12-6-1-2-7-20(12)14/h1-8H,(H,21,22)/b19-18+.
What are the key properties of 3-[(3-cyanophenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid?
3-[(3-cyanophenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 291.27 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyanophenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 82355476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).