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

C14H11N3O3 — CID 82821328

IUPAC2-[hydroxy(phenyl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cnc2nc(C(O)c3ccccc3)[nH]c2c1
InChIInChI=1S/C14H11N3O3/c18-11(8-4-2-1-3-5-8)13-16-10-6-9(14(19)20)7-15-12(10)17-13/h1-7,11,18H,(H,19,20)(H,15,16,17)
InChIKeyWSFVDKFTKUKDJX-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.74
Rot. Bonds3

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

2-[hydroxy(phenyl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid (PubChem CID 82821328) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-[hydroxy(phenyl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-[hydroxy(phenyl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
PubChem CID82821328
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name2-[hydroxy(phenyl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cnc2nc(C(O)c3ccccc3)[nH]c2c1
InChIInChI=1S/C14H11N3O3/c18-11(8-4-2-1-3-5-8)13-16-10-6-9(14(19)20)7-15-12(10)17-13/h1-7,11,18H,(H,19,20)(H,15,16,17)
InChIKeyWSFVDKFTKUKDJX-UHFFFAOYSA-N
XLogP1.74
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy(phenyl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The IUPAC name of 2-[hydroxy(phenyl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid (CID 82821328) is 2-[hydroxy(phenyl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-[hydroxy(phenyl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The canonical SMILES for 2-[hydroxy(phenyl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid is O=C(O)c1cnc2nc(C(O)c3ccccc3)[nH]c2c1.
What is the InChIKey of 2-[hydroxy(phenyl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The InChIKey is WSFVDKFTKUKDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c18-11(8-4-2-1-3-5-8)13-16-10-6-9(14(19)20)7-15-12(10)17-13/h1-7,11,18H,(H,19,20)(H,15,16,17).
What are the key properties of 2-[hydroxy(phenyl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
2-[hydroxy(phenyl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of 1.74, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy(phenyl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 82821328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).