3-[(3-hydroxyphenyl)diazenyl]-7-methylimidazo[1,2-a]pyridine-2-carboxylic acid

C15H12N4O3 — CID 82355527

IUPAC3-[(3-hydroxyphenyl)diazenyl]-7-methylimidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCc1ccn2c(/N=N/c3cccc(O)c3)c(C(=O)O)nc2c1
InChIInChI=1S/C15H12N4O3/c1-9-5-6-19-12(7-9)16-13(15(21)22)14(19)18-17-10-3-2-4-11(20)8-10/h2-8,20H,1H3,(H,21,22)/b18-17+
InChIKeyKDLRPVJWEPVAMQ-ISLYRVAYSA-N
MW296.29 g/mol
LogP3.46
Rot. Bonds3

About 3-[(3-hydroxyphenyl)diazenyl]-7-methylimidazo[1,2-a]pyridine-2-carboxylic acid

3-[(3-hydroxyphenyl)diazenyl]-7-methylimidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 82355527) has the molecular formula C15H12N4O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 3-[(3-hydroxyphenyl)diazenyl]-7-methylimidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3-hydroxyphenyl)diazenyl]-7-methylimidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID82355527
Molecular FormulaC15H12N4O3
Molecular Weight296.29 g/mol
Exact Mass296.09
IUPAC Name3-[(3-hydroxyphenyl)diazenyl]-7-methylimidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCc1ccn2c(/N=N/c3cccc(O)c3)c(C(=O)O)nc2c1
InChIInChI=1S/C15H12N4O3/c1-9-5-6-19-12(7-9)16-13(15(21)22)14(19)18-17-10-3-2-4-11(20)8-10/h2-8,20H,1H3,(H,21,22)/b18-17+
InChIKeyKDLRPVJWEPVAMQ-ISLYRVAYSA-N
XLogP3.46
TPSA99.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 53.46
H-Bond Donors ≤ 52
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

7-methyl-3-[(2-methylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 82355529
5-methyl-3-[(3-methylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 82355566
3-[(3-cyanophenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 82355476
7-methyl-3-phenylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 82063200
3-[(2,6-dimethylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 82355477
2-(7-methyl-3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetic acid
CID 82356407
3-[[bis(prop-2-enyl)amino]methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 39122077
4-[(3-hydroxyphenyl)diazenyl]benzoic acid
CID 101366550
7-methyl-3-nitroso-2-propan-2-ylimidazo[1,2-a]pyridine
CID 82356376
7-methyl-2-(4-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine
CID 44726067
benzene-1,3-diol;3-methylbenzoic acid
CID 174723405
7-methyl-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 39122070

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxyphenyl)diazenyl]-7-methylimidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(3-hydroxyphenyl)diazenyl]-7-methylimidazo[1,2-a]pyridine-2-carboxylic acid (CID 82355527) is 3-[(3-hydroxyphenyl)diazenyl]-7-methylimidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(3-hydroxyphenyl)diazenyl]-7-methylimidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(3-hydroxyphenyl)diazenyl]-7-methylimidazo[1,2-a]pyridine-2-carboxylic acid is Cc1ccn2c(/N=N/c3cccc(O)c3)c(C(=O)O)nc2c1.
What is the InChIKey of 3-[(3-hydroxyphenyl)diazenyl]-7-methylimidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is KDLRPVJWEPVAMQ-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H12N4O3/c1-9-5-6-19-12(7-9)16-13(15(21)22)14(19)18-17-10-3-2-4-11(20)8-10/h2-8,20H,1H3,(H,21,22)/b18-17+.
What are the key properties of 3-[(3-hydroxyphenyl)diazenyl]-7-methylimidazo[1,2-a]pyridine-2-carboxylic acid?
3-[(3-hydroxyphenyl)diazenyl]-7-methylimidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 296.29 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxyphenyl)diazenyl]-7-methylimidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 82355527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).