2-tert-butyl-6-chloroimidazo[1,2-a]pyridine-3-carboxylic acid

C12H13ClN2O2 — CID 80503406

IUPAC2-tert-butyl-6-chloroimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCC(C)(C)c1nc2ccc(Cl)cn2c1C(=O)O
InChIInChI=1S/C12H13ClN2O2/c1-12(2,3)10-9(11(16)17)15-6-7(13)4-5-8(15)14-10/h4-6H,1-3H3,(H,16,17)
InChIKeyOPAFCEJKUFSWPK-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.98
Rot. Bonds1

About 2-tert-butyl-6-chloroimidazo[1,2-a]pyridine-3-carboxylic acid

2-tert-butyl-6-chloroimidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 80503406) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 2-tert-butyl-6-chloroimidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-6-chloroimidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID80503406
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name2-tert-butyl-6-chloroimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCC(C)(C)c1nc2ccc(Cl)cn2c1C(=O)O
InChIInChI=1S/C12H13ClN2O2/c1-12(2,3)10-9(11(16)17)15-6-7(13)4-5-8(15)14-10/h4-6H,1-3H3,(H,16,17)
InChIKeyOPAFCEJKUFSWPK-UHFFFAOYSA-N
XLogP2.98
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-chloroimidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-tert-butyl-6-chloroimidazo[1,2-a]pyridine-3-carboxylic acid (CID 80503406) is 2-tert-butyl-6-chloroimidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-6-chloroimidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-tert-butyl-6-chloroimidazo[1,2-a]pyridine-3-carboxylic acid is CC(C)(C)c1nc2ccc(Cl)cn2c1C(=O)O.
What is the InChIKey of 2-tert-butyl-6-chloroimidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is OPAFCEJKUFSWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-12(2,3)10-9(11(16)17)15-6-7(13)4-5-8(15)14-10/h4-6H,1-3H3,(H,16,17).
What are the key properties of 2-tert-butyl-6-chloroimidazo[1,2-a]pyridine-3-carboxylic acid?
2-tert-butyl-6-chloroimidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 252.70 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-chloroimidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 80503406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).