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

C14H10ClN3O2 — CID 63537134

IUPAC2-(3-chloroanilino)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1c(Nc2cccc(Cl)c2)nc2ccccn12
InChIInChI=1S/C14H10ClN3O2/c15-9-4-3-5-10(8-9)16-13-12(14(19)20)18-7-2-1-6-11(18)17-13/h1-8,16H,(H,19,20)
InChIKeyLVLCZRPBTVIOMH-UHFFFAOYSA-N
MW287.71 g/mol
LogP3.43
Rot. Bonds3

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

2-(3-chloroanilino)imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 63537134) has the molecular formula C14H10ClN3O2 and a molecular weight of 287.71 g/mol. Its IUPAC name is 2-(3-chloroanilino)imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-chloroanilino)imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID63537134
Molecular FormulaC14H10ClN3O2
Molecular Weight287.71 g/mol
Exact Mass287.05
IUPAC Name2-(3-chloroanilino)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1c(Nc2cccc(Cl)c2)nc2ccccn12
InChIInChI=1S/C14H10ClN3O2/c15-9-4-3-5-10(8-9)16-13-12(14(19)20)18-7-2-1-6-11(18)17-13/h1-8,16H,(H,19,20)
InChIKeyLVLCZRPBTVIOMH-UHFFFAOYSA-N
XLogP3.43
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-(3-chloroanilino)imidazo[1,2-a]pyridine-3-carboxylic acid (CID 63537134) is 2-(3-chloroanilino)imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3-chloroanilino)imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(3-chloroanilino)imidazo[1,2-a]pyridine-3-carboxylic acid is O=C(O)c1c(Nc2cccc(Cl)c2)nc2ccccn12.
What is the InChIKey of 2-(3-chloroanilino)imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is LVLCZRPBTVIOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2/c15-9-4-3-5-10(8-9)16-13-12(14(19)20)18-7-2-1-6-11(18)17-13/h1-8,16H,(H,19,20).
What are the key properties of 2-(3-chloroanilino)imidazo[1,2-a]pyridine-3-carboxylic acid?
2-(3-chloroanilino)imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 287.71 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 63537134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).