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

C16H14N4O2 — CID 82355529

IUPAC7-methyl-3-[(2-methylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCc1ccn2c(/N=N/c3ccccc3C)c(C(=O)O)nc2c1
InChIInChI=1S/C16H14N4O2/c1-10-7-8-20-13(9-10)17-14(16(21)22)15(20)19-18-12-6-4-3-5-11(12)2/h3-9H,1-2H3,(H,21,22)/b19-18+
InChIKeyZZBKXQDNPCZJFU-VHEBQXMUSA-N
MW294.31 g/mol
LogP4.06
Rot. Bonds3

About 7-methyl-3-[(2-methylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid

7-methyl-3-[(2-methylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 82355529) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 7-methyl-3-[(2-methylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name7-methyl-3-[(2-methylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID82355529
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name7-methyl-3-[(2-methylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCc1ccn2c(/N=N/c3ccccc3C)c(C(=O)O)nc2c1
InChIInChI=1S/C16H14N4O2/c1-10-7-8-20-13(9-10)17-14(16(21)22)15(20)19-18-12-6-4-3-5-11(12)2/h3-9H,1-2H3,(H,21,22)/b19-18+
InChIKeyZZBKXQDNPCZJFU-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-[(2,6-dimethylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 82355477
7-methyl-3-phenylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 82063200
2-(7-methyl-3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetic acid
CID 82356407
7-methyl-3-(2-methylphenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84742900
5-methyl-3-[(3-methylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 82355566
7-methyl-2-(4-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine
CID 44726067
3-[[bis(prop-2-enyl)amino]methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 39122077
2-[(2-methylimidazo[1,2-a]pyridin-3-yl)diazenyl]benzoic acid
CID 82355458
3-[(3-cyanophenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 82355476
2-[1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)ethylideneamino]benzoate
CID 138111234
7-methyl-3-nitroso-2-propan-2-ylimidazo[1,2-a]pyridine
CID 82356376

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[(2-methylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 7-methyl-3-[(2-methylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid (CID 82355529) is 7-methyl-3-[(2-methylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 7-methyl-3-[(2-methylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 7-methyl-3-[(2-methylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid is Cc1ccn2c(/N=N/c3ccccc3C)c(C(=O)O)nc2c1.
What is the InChIKey of 7-methyl-3-[(2-methylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is ZZBKXQDNPCZJFU-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-10-7-8-20-13(9-10)17-14(16(21)22)15(20)19-18-12-6-4-3-5-11(12)2/h3-9H,1-2H3,(H,21,22)/b19-18+.
What are the key properties of 7-methyl-3-[(2-methylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid?
7-methyl-3-[(2-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 7-methyl-3-[(2-methylphenyl)diazenyl]imidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 82355529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).