2-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid

C14H13ClN2O2 — CID 83966383

IUPAC2-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid
SMILESO=C(O)C1CCCn2cc(-c3ccc(Cl)cc3)nc21
InChIInChI=1S/C14H13ClN2O2/c15-10-5-3-9(4-6-10)12-8-17-7-1-2-11(14(18)19)13(17)16-12/h3-6,8,11H,1-2,7H2,(H,18,19)
InChIKeyZJAOXDLJFPBJIF-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.17
Rot. Bonds2

About 2-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid

2-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid (PubChem CID 83966383) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid
PubChem CID83966383
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name2-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid
SMILESO=C(O)C1CCCn2cc(-c3ccc(Cl)cc3)nc21
InChIInChI=1S/C14H13ClN2O2/c15-10-5-3-9(4-6-10)12-8-17-7-1-2-11(14(18)19)13(17)16-12/h3-6,8,11H,1-2,7H2,(H,18,19)
InChIKeyZJAOXDLJFPBJIF-UHFFFAOYSA-N
XLogP3.17
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid?
The IUPAC name of 2-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid (CID 83966383) is 2-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid?
The canonical SMILES for 2-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid is O=C(O)C1CCCn2cc(-c3ccc(Cl)cc3)nc21.
What is the InChIKey of 2-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid?
The InChIKey is ZJAOXDLJFPBJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c15-10-5-3-9(4-6-10)12-8-17-7-1-2-11(14(18)19)13(17)16-12/h3-6,8,11H,1-2,7H2,(H,18,19).
What are the key properties of 2-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid?
2-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid has a molecular weight of 276.72 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 83966383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).