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

C10H9ClN2O2 — CID 116984026

IUPAC3-(2-chloroethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESO=C(O)c1nc(CCCl)n2ccccc12
InChIInChI=1S/C10H9ClN2O2/c11-5-4-8-12-9(10(14)15)7-3-1-2-6-13(7)8/h1-3,6H,4-5H2,(H,14,15)
InChIKeyNBXZUKJWVHLPLF-UHFFFAOYSA-N
MW224.65 g/mol
LogP1.81
Rot. Bonds3

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

3-(2-chloroethyl)imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 116984026) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is 3-(2-chloroethyl)imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-chloroethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID116984026
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Name3-(2-chloroethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESO=C(O)c1nc(CCCl)n2ccccc12
InChIInChI=1S/C10H9ClN2O2/c11-5-4-8-12-9(10(14)15)7-3-1-2-6-13(7)8/h1-3,6H,4-5H2,(H,14,15)
InChIKeyNBXZUKJWVHLPLF-UHFFFAOYSA-N
XLogP1.81
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(3-oxobutyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984046
3-(3-amino-2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984013
3-[(4-fluorophenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117246965
3-(2-morpholin-4-ylethyl)imidazo[1,5-a]pyridine-1-carbonyl chloride
CID 86617457
3-(4-chlorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 28752075
3-hydrazinylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984081
6-chloro-3-(2-hydroxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253410
3-(piperidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253044
3-methylsulfinylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 21280356
3-[1-(hydroxymethyl)cyclopropyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984055
3-(2-carboxyethyl)-6-chloroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 84743042
3-[(3-chloroquinolin-6-yl)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid;ethane
CID 145441097

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 3-(2-chloroethyl)imidazo[1,5-a]pyridine-1-carboxylic acid (CID 116984026) is 3-(2-chloroethyl)imidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 3-(2-chloroethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 3-(2-chloroethyl)imidazo[1,5-a]pyridine-1-carboxylic acid is O=C(O)c1nc(CCCl)n2ccccc12.
What is the InChIKey of 3-(2-chloroethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is NBXZUKJWVHLPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c11-5-4-8-12-9(10(14)15)7-3-1-2-6-13(7)8/h1-3,6H,4-5H2,(H,14,15).
What are the key properties of 3-(2-chloroethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
3-(2-chloroethyl)imidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 224.65 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroethyl)imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 116984026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).