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

C15H13N3O3 — CID 82795992

IUPAC2-(3-methoxy-4-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESCOc1cc(-c2nc3ncc(C(=O)O)cc3[nH]2)ccc1C
InChIInChI=1S/C15H13N3O3/c1-8-3-4-9(6-12(8)21-2)13-17-11-5-10(15(19)20)7-16-14(11)18-13/h3-7H,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyINLVHJLYVUYFBU-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.64
Rot. Bonds3

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

2-(3-methoxy-4-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid (PubChem CID 82795992) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-(3-methoxy-4-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-(3-methoxy-4-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
PubChem CID82795992
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name2-(3-methoxy-4-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESCOc1cc(-c2nc3ncc(C(=O)O)cc3[nH]2)ccc1C
InChIInChI=1S/C15H13N3O3/c1-8-3-4-9(6-12(8)21-2)13-17-11-5-10(15(19)20)7-16-14(11)18-13/h3-7H,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyINLVHJLYVUYFBU-UHFFFAOYSA-N
XLogP2.64
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The IUPAC name of 2-(3-methoxy-4-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid (CID 82795992) is 2-(3-methoxy-4-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-(3-methoxy-4-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The canonical SMILES for 2-(3-methoxy-4-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid is COc1cc(-c2nc3ncc(C(=O)O)cc3[nH]2)ccc1C.
What is the InChIKey of 2-(3-methoxy-4-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The InChIKey is INLVHJLYVUYFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-8-3-4-9(6-12(8)21-2)13-17-11-5-10(15(19)20)7-16-14(11)18-13/h3-7H,1-2H3,(H,19,20)(H,16,17,18).
What are the key properties of 2-(3-methoxy-4-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
2-(3-methoxy-4-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid has a molecular weight of 283.29 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 82795992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).