2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid

C12H13N3O3 — CID 82821326

IUPAC2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cnc2nc(C3CCOCC3)[nH]c2c1
InChIInChI=1S/C12H13N3O3/c16-12(17)8-5-9-11(13-6-8)15-10(14-9)7-1-3-18-4-2-7/h5-7H,1-4H2,(H,16,17)(H,13,14,15)
InChIKeyFUJGWDWEGQIVLN-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.55
Rot. Bonds2

About 2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid

2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid (PubChem CID 82821326) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
PubChem CID82821326
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cnc2nc(C3CCOCC3)[nH]c2c1
InChIInChI=1S/C12H13N3O3/c16-12(17)8-5-9-11(13-6-8)15-10(14-9)7-1-3-18-4-2-7/h5-7H,1-4H2,(H,16,17)(H,13,14,15)
InChIKeyFUJGWDWEGQIVLN-UHFFFAOYSA-N
XLogP1.55
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The IUPAC name of 2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid (CID 82821326) is 2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The canonical SMILES for 2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid is O=C(O)c1cnc2nc(C3CCOCC3)[nH]c2c1.
What is the InChIKey of 2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The InChIKey is FUJGWDWEGQIVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c16-12(17)8-5-9-11(13-6-8)15-10(14-9)7-1-3-18-4-2-7/h5-7H,1-4H2,(H,16,17)(H,13,14,15).
What are the key properties of 2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid has a molecular weight of 247.25 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 82821326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).