1-chloro-7-hydroxy-6,8-dihydro-5H-imidazo[1,5-a]pyridine-7-carboxylic acid

C8H9ClN2O3 — CID 83887340

IUPAC1-chloro-7-hydroxy-6,8-dihydro-5H-imidazo[1,5-a]pyridine-7-carboxylic acid
SMILESO=C(O)C1(O)CCn2cnc(Cl)c2C1
InChIInChI=1S/C8H9ClN2O3/c9-6-5-3-8(14,7(12)13)1-2-11(5)4-10-6/h4,14H,1-3H2,(H,12,13)
InChIKeyAFZJGKOHYBYQDD-UHFFFAOYSA-N
MW216.62 g/mol
LogP0.30
Rot. Bonds1

About 1-chloro-7-hydroxy-6,8-dihydro-5H-imidazo[1,5-a]pyridine-7-carboxylic acid

1-chloro-7-hydroxy-6,8-dihydro-5H-imidazo[1,5-a]pyridine-7-carboxylic acid (PubChem CID 83887340) has the molecular formula C8H9ClN2O3 and a molecular weight of 216.62 g/mol. Its IUPAC name is 1-chloro-7-hydroxy-6,8-dihydro-5H-imidazo[1,5-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name1-chloro-7-hydroxy-6,8-dihydro-5H-imidazo[1,5-a]pyridine-7-carboxylic acid
PubChem CID83887340
Molecular FormulaC8H9ClN2O3
Molecular Weight216.62 g/mol
Exact Mass216.03
IUPAC Name1-chloro-7-hydroxy-6,8-dihydro-5H-imidazo[1,5-a]pyridine-7-carboxylic acid
SMILESO=C(O)C1(O)CCn2cnc(Cl)c2C1
InChIInChI=1S/C8H9ClN2O3/c9-6-5-3-8(14,7(12)13)1-2-11(5)4-10-6/h4,14H,1-3H2,(H,12,13)
InChIKeyAFZJGKOHYBYQDD-UHFFFAOYSA-N
XLogP0.30
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.62
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-7-hydroxy-6,8-dihydro-5H-imidazo[1,5-a]pyridine-7-carboxylic acid?
The IUPAC name of 1-chloro-7-hydroxy-6,8-dihydro-5H-imidazo[1,5-a]pyridine-7-carboxylic acid (CID 83887340) is 1-chloro-7-hydroxy-6,8-dihydro-5H-imidazo[1,5-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 1-chloro-7-hydroxy-6,8-dihydro-5H-imidazo[1,5-a]pyridine-7-carboxylic acid?
The canonical SMILES for 1-chloro-7-hydroxy-6,8-dihydro-5H-imidazo[1,5-a]pyridine-7-carboxylic acid is O=C(O)C1(O)CCn2cnc(Cl)c2C1.
What is the InChIKey of 1-chloro-7-hydroxy-6,8-dihydro-5H-imidazo[1,5-a]pyridine-7-carboxylic acid?
The InChIKey is AFZJGKOHYBYQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O3/c9-6-5-3-8(14,7(12)13)1-2-11(5)4-10-6/h4,14H,1-3H2,(H,12,13).
What are the key properties of 1-chloro-7-hydroxy-6,8-dihydro-5H-imidazo[1,5-a]pyridine-7-carboxylic acid?
1-chloro-7-hydroxy-6,8-dihydro-5H-imidazo[1,5-a]pyridine-7-carboxylic acid has a molecular weight of 216.62 g/mol, XLogP of 0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-7-hydroxy-6,8-dihydro-5H-imidazo[1,5-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 83887340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).