2-[(3,4-dimethylphenyl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid

C16H15N3O2 — CID 82796324

IUPAC2-[(3,4-dimethylphenyl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESCc1ccc(Cc2nc3ncc(C(=O)O)cc3[nH]2)cc1C
InChIInChI=1S/C16H15N3O2/c1-9-3-4-11(5-10(9)2)6-14-18-13-7-12(16(20)21)8-17-15(13)19-14/h3-5,7-8H,6H2,1-2H3,(H,20,21)(H,17,18,19)
InChIKeyZPWGHYYBQPMJAX-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.86
Rot. Bonds3

About 2-[(3,4-dimethylphenyl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid

2-[(3,4-dimethylphenyl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid (PubChem CID 82796324) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-[(3,4-dimethylphenyl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-[(3,4-dimethylphenyl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
PubChem CID82796324
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name2-[(3,4-dimethylphenyl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESCc1ccc(Cc2nc3ncc(C(=O)O)cc3[nH]2)cc1C
InChIInChI=1S/C16H15N3O2/c1-9-3-4-11(5-10(9)2)6-14-18-13-7-12(16(20)21)8-17-15(13)19-14/h3-5,7-8H,6H2,1-2H3,(H,20,21)(H,17,18,19)
InChIKeyZPWGHYYBQPMJAX-UHFFFAOYSA-N
XLogP2.86
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylphenyl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The IUPAC name of 2-[(3,4-dimethylphenyl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid (CID 82796324) is 2-[(3,4-dimethylphenyl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-[(3,4-dimethylphenyl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The canonical SMILES for 2-[(3,4-dimethylphenyl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid is Cc1ccc(Cc2nc3ncc(C(=O)O)cc3[nH]2)cc1C.
What is the InChIKey of 2-[(3,4-dimethylphenyl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The InChIKey is ZPWGHYYBQPMJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-9-3-4-11(5-10(9)2)6-14-18-13-7-12(16(20)21)8-17-15(13)19-14/h3-5,7-8H,6H2,1-2H3,(H,20,21)(H,17,18,19).
What are the key properties of 2-[(3,4-dimethylphenyl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
2-[(3,4-dimethylphenyl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid has a molecular weight of 281.32 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylphenyl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 82796324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).