5-methyl-3-[(3-methylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid

C16H14N4O2 — CID 82355566

IUPAC5-methyl-3-[(3-methylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCc1cccc(/N=N/c2c(C(=O)O)nc3cccc(C)n23)c1
InChIInChI=1S/C16H14N4O2/c1-10-5-3-7-12(9-10)18-19-15-14(16(21)22)17-13-8-4-6-11(2)20(13)15/h3-9H,1-2H3,(H,21,22)/b19-18+
InChIKeyNGXGSUHKUWOOEA-VHEBQXMUSA-N
MW294.31 g/mol
LogP4.06
Rot. Bonds3

About 5-methyl-3-[(3-methylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid

5-methyl-3-[(3-methylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 82355566) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 5-methyl-3-[(3-methylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-3-[(3-methylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID82355566
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name5-methyl-3-[(3-methylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCc1cccc(/N=N/c2c(C(=O)O)nc3cccc(C)n23)c1
InChIInChI=1S/C16H14N4O2/c1-10-5-3-7-12(9-10)18-19-15-14(16(21)22)17-13-8-4-6-11(2)20(13)15/h3-9H,1-2H3,(H,21,22)/b19-18+
InChIKeyNGXGSUHKUWOOEA-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-hydroxyphenyl)diazenyl]-7-methylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 82355527
3-[(3-cyanophenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 82355476
3-[(dipropylamino)methyl]-5-methylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 39121673
7-methyl-3-[(2-methylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 82355529
3-[(2,6-dimethylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 82355477
2-[2-hydroxy-5-[(3-methylphenyl)diazenyl]phenyl]acetic acid
CID 135843564
6-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 115023262
isocyanic acid;(3-methylphenyl)-phenyldiazene
CID 88626155
13-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxylic acid
CID 84818466
(E)-3-[5-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 39195853
3-bromo-5-ethylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 56924061
3-methylbenzoic acid;nitrous acid
CID 175097452

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(3-methylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 5-methyl-3-[(3-methylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid (CID 82355566) is 5-methyl-3-[(3-methylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-methyl-3-[(3-methylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 5-methyl-3-[(3-methylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid is Cc1cccc(/N=N/c2c(C(=O)O)nc3cccc(C)n23)c1.
What is the InChIKey of 5-methyl-3-[(3-methylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is NGXGSUHKUWOOEA-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-10-5-3-7-12(9-10)18-19-15-14(16(21)22)17-13-8-4-6-11(2)20(13)15/h3-9H,1-2H3,(H,21,22)/b19-18+.
What are the key properties of 5-methyl-3-[(3-methylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid?
5-methyl-3-[(3-methylphenyl)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 5-methyl-3-[(3-methylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 82355566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).