5-chloro-3-(2-hydroxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid

C10H9ClN2O3 — CID 117252747

IUPAC5-chloro-3-(2-hydroxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESO=C(O)c1nc(CCO)n2c(Cl)cccc12
InChIInChI=1S/C10H9ClN2O3/c11-7-3-1-2-6-9(10(15)16)12-8(4-5-14)13(6)7/h1-3,14H,4-5H2,(H,15,16)
InChIKeyJPQANHHAASPRNQ-UHFFFAOYSA-N
MW240.65 g/mol
LogP1.22
Rot. Bonds3

About 5-chloro-3-(2-hydroxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid

5-chloro-3-(2-hydroxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117252747) has the molecular formula C10H9ClN2O3 and a molecular weight of 240.65 g/mol. Its IUPAC name is 5-chloro-3-(2-hydroxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name5-chloro-3-(2-hydroxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117252747
Molecular FormulaC10H9ClN2O3
Molecular Weight240.65 g/mol
Exact Mass240.03
IUPAC Name5-chloro-3-(2-hydroxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESO=C(O)c1nc(CCO)n2c(Cl)cccc12
InChIInChI=1S/C10H9ClN2O3/c11-7-3-1-2-6-9(10(15)16)12-8(4-5-14)13(6)7/h1-3,14H,4-5H2,(H,15,16)
InChIKeyJPQANHHAASPRNQ-UHFFFAOYSA-N
XLogP1.22
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.65
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2-hydroxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 5-chloro-3-(2-hydroxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid (CID 117252747) is 5-chloro-3-(2-hydroxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 5-chloro-3-(2-hydroxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 5-chloro-3-(2-hydroxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid is O=C(O)c1nc(CCO)n2c(Cl)cccc12.
What is the InChIKey of 5-chloro-3-(2-hydroxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is JPQANHHAASPRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O3/c11-7-3-1-2-6-9(10(15)16)12-8(4-5-14)13(6)7/h1-3,14H,4-5H2,(H,15,16).
What are the key properties of 5-chloro-3-(2-hydroxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
5-chloro-3-(2-hydroxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 240.65 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2-hydroxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117252747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).