6-(5-chloro-2-pyridinyl)imidazo[1,2-a]pyridine-2-carboxylic acid

C13H8ClN3O2 — CID 138663412

IUPAC6-(5-chloro-2-pyridinyl)imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1cn2cc(-c3ccc(Cl)cn3)ccc2n1
InChIInChI=1S/C13H8ClN3O2/c14-9-2-3-10(15-5-9)8-1-4-12-16-11(13(18)19)7-17(12)6-8/h1-7H,(H,18,19)
InChIKeyFXRUPKYZADMIHW-UHFFFAOYSA-N
MW273.68 g/mol
LogP2.75
Rot. Bonds2

About 6-(5-chloro-2-pyridinyl)imidazo[1,2-a]pyridine-2-carboxylic acid

6-(5-chloro-2-pyridinyl)imidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 138663412) has the molecular formula C13H8ClN3O2 and a molecular weight of 273.68 g/mol. Its IUPAC name is 6-(5-chloro-2-pyridinyl)imidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(5-chloro-2-pyridinyl)imidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID138663412
Molecular FormulaC13H8ClN3O2
Molecular Weight273.68 g/mol
Exact Mass273.03
IUPAC Name6-(5-chloro-2-pyridinyl)imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1cn2cc(-c3ccc(Cl)cn3)ccc2n1
InChIInChI=1S/C13H8ClN3O2/c14-9-2-3-10(15-5-9)8-1-4-12-16-11(13(18)19)7-17(12)6-8/h1-7H,(H,18,19)
InChIKeyFXRUPKYZADMIHW-UHFFFAOYSA-N
XLogP2.75
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-pyridinyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 6-(5-chloro-2-pyridinyl)imidazo[1,2-a]pyridine-2-carboxylic acid (CID 138663412) is 6-(5-chloro-2-pyridinyl)imidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(5-chloro-2-pyridinyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 6-(5-chloro-2-pyridinyl)imidazo[1,2-a]pyridine-2-carboxylic acid is O=C(O)c1cn2cc(-c3ccc(Cl)cn3)ccc2n1.
What is the InChIKey of 6-(5-chloro-2-pyridinyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is FXRUPKYZADMIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O2/c14-9-2-3-10(15-5-9)8-1-4-12-16-11(13(18)19)7-17(12)6-8/h1-7H,(H,18,19).
What are the key properties of 6-(5-chloro-2-pyridinyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
6-(5-chloro-2-pyridinyl)imidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 273.68 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-pyridinyl)imidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 138663412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).