1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid

C10H13ClN2O2 — CID 83869692

IUPAC1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
SMILESCCc1nc(Cl)c2n1CCC(C(=O)O)C2
InChIInChI=1S/C10H13ClN2O2/c1-2-8-12-9(11)7-5-6(10(14)15)3-4-13(7)8/h6H,2-5H2,1H3,(H,14,15)
InChIKeyHLVLJVJQALAMED-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.75
Rot. Bonds2

About 1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid

1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid (PubChem CID 83869692) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
PubChem CID83869692
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
SMILESCCc1nc(Cl)c2n1CCC(C(=O)O)C2
InChIInChI=1S/C10H13ClN2O2/c1-2-8-12-9(11)7-5-6(10(14)15)3-4-13(7)8/h6H,2-5H2,1H3,(H,14,15)
InChIKeyHLVLJVJQALAMED-UHFFFAOYSA-N
XLogP1.75
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid?
The IUPAC name of 1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid (CID 83869692) is 1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid?
The canonical SMILES for 1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid is CCc1nc(Cl)c2n1CCC(C(=O)O)C2.
What is the InChIKey of 1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid?
The InChIKey is HLVLJVJQALAMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-2-8-12-9(11)7-5-6(10(14)15)3-4-13(7)8/h6H,2-5H2,1H3,(H,14,15).
What are the key properties of 1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid?
1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid has a molecular weight of 228.68 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 83869692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).