2-amino-2-(3-chloroimidazo[1,2-a]pyridin-5-yl)acetic acid

C9H8ClN3O2 — CID 83839723

IUPAC2-amino-2-(3-chloroimidazo[1,2-a]pyridin-5-yl)acetic acid
SMILESNC(C(=O)O)c1cccc2ncc(Cl)n12
InChIInChI=1S/C9H8ClN3O2/c10-6-4-12-7-3-1-2-5(13(6)7)8(11)9(14)15/h1-4,8H,11H2,(H,14,15)
InChIKeyKAOOAVSNVYNROM-UHFFFAOYSA-N
MW225.64 g/mol
LogP1.07
Rot. Bonds2

About 2-amino-2-(3-chloroimidazo[1,2-a]pyridin-5-yl)acetic acid

2-amino-2-(3-chloroimidazo[1,2-a]pyridin-5-yl)acetic acid (PubChem CID 83839723) has the molecular formula C9H8ClN3O2 and a molecular weight of 225.64 g/mol. Its IUPAC name is 2-amino-2-(3-chloroimidazo[1,2-a]pyridin-5-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(3-chloroimidazo[1,2-a]pyridin-5-yl)acetic acid
PubChem CID83839723
Molecular FormulaC9H8ClN3O2
Molecular Weight225.64 g/mol
Exact Mass225.03
IUPAC Name2-amino-2-(3-chloroimidazo[1,2-a]pyridin-5-yl)acetic acid
SMILESNC(C(=O)O)c1cccc2ncc(Cl)n12
InChIInChI=1S/C9H8ClN3O2/c10-6-4-12-7-3-1-2-5(13(6)7)8(11)9(14)15/h1-4,8H,11H2,(H,14,15)
InChIKeyKAOOAVSNVYNROM-UHFFFAOYSA-N
XLogP1.07
TPSA80.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.64
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-chloroimidazo[1,2-a]pyridin-5-yl)acetic acid?
The IUPAC name of 2-amino-2-(3-chloroimidazo[1,2-a]pyridin-5-yl)acetic acid (CID 83839723) is 2-amino-2-(3-chloroimidazo[1,2-a]pyridin-5-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(3-chloroimidazo[1,2-a]pyridin-5-yl)acetic acid?
The canonical SMILES for 2-amino-2-(3-chloroimidazo[1,2-a]pyridin-5-yl)acetic acid is NC(C(=O)O)c1cccc2ncc(Cl)n12.
What is the InChIKey of 2-amino-2-(3-chloroimidazo[1,2-a]pyridin-5-yl)acetic acid?
The InChIKey is KAOOAVSNVYNROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O2/c10-6-4-12-7-3-1-2-5(13(6)7)8(11)9(14)15/h1-4,8H,11H2,(H,14,15).
What are the key properties of 2-amino-2-(3-chloroimidazo[1,2-a]pyridin-5-yl)acetic acid?
2-amino-2-(3-chloroimidazo[1,2-a]pyridin-5-yl)acetic acid has a molecular weight of 225.64 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-chloroimidazo[1,2-a]pyridin-5-yl)acetic acid is sourced from PubChem (CID 83839723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).