propan-2-yl 2-(5-chloroimidazo[1,2-a]pyridin-2-yl)acetate

C12H13ClN2O2 — CID 135395941

IUPACpropan-2-yl 2-(5-chloroimidazo[1,2-a]pyridin-2-yl)acetate
SMILESCC(C)OC(=O)Cc1cn2c(Cl)cccc2n1
InChIInChI=1S/C12H13ClN2O2/c1-8(2)17-12(16)6-9-7-15-10(13)4-3-5-11(15)14-9/h3-5,7-8H,6H2,1-2H3
InChIKeyMXWXNLGYNUDSGP-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.48
Rot. Bonds3

About propan-2-yl 2-(5-chloroimidazo[1,2-a]pyridin-2-yl)acetate

propan-2-yl 2-(5-chloroimidazo[1,2-a]pyridin-2-yl)acetate (PubChem CID 135395941) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is propan-2-yl 2-(5-chloroimidazo[1,2-a]pyridin-2-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(5-chloroimidazo[1,2-a]pyridin-2-yl)acetate
PubChem CID135395941
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Namepropan-2-yl 2-(5-chloroimidazo[1,2-a]pyridin-2-yl)acetate
SMILESCC(C)OC(=O)Cc1cn2c(Cl)cccc2n1
InChIInChI=1S/C12H13ClN2O2/c1-8(2)17-12(16)6-9-7-15-10(13)4-3-5-11(15)14-9/h3-5,7-8H,6H2,1-2H3
InChIKeyMXWXNLGYNUDSGP-UHFFFAOYSA-N
XLogP2.48
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(5-chloroimidazo[1,2-a]pyridin-2-yl)propan-2-one
CID 137347473
propan-2-yl 2-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)acetate
CID 135394863
methyl 5-chloroimidazo[1,2-a]pyridine-2-carboxylate
CID 135397067
2-(bromomethyl)-5-chloroimidazo[1,2-a]pyridine;hydrobromide
CID 137347572
tert-butyl 2-(5-aminoimidazo[1,2-a]pyridin-2-yl)acetate
CID 135396090
2-(5-chloroimidazo[1,2-a]pyridin-2-yl)-N,N-dimethylethanamine
CID 117133330
5-chloro-2-[(3-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine
CID 117255753
propan-2-yl 2-(8-iodoimidazo[1,2-a]pyridin-2-yl)acetate
CID 135396116
5-chloroimidazo[1,2-a]pyridin-2-ol
CID 105433971
propan-2-yl 2-(2-sulfanylphenyl)acetate
CID 67682935
4-[(5-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]benzaldehyde
CID 22344627
5-chloro-2-[(2-fluorophenoxy)methyl]imidazo[1,2-a]pyridine
CID 117255731

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(5-chloroimidazo[1,2-a]pyridin-2-yl)acetate?
The IUPAC name of propan-2-yl 2-(5-chloroimidazo[1,2-a]pyridin-2-yl)acetate (CID 135395941) is propan-2-yl 2-(5-chloroimidazo[1,2-a]pyridin-2-yl)acetate.
What is the SMILES notation for propan-2-yl 2-(5-chloroimidazo[1,2-a]pyridin-2-yl)acetate?
The canonical SMILES for propan-2-yl 2-(5-chloroimidazo[1,2-a]pyridin-2-yl)acetate is CC(C)OC(=O)Cc1cn2c(Cl)cccc2n1.
What is the InChIKey of propan-2-yl 2-(5-chloroimidazo[1,2-a]pyridin-2-yl)acetate?
The InChIKey is MXWXNLGYNUDSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-8(2)17-12(16)6-9-7-15-10(13)4-3-5-11(15)14-9/h3-5,7-8H,6H2,1-2H3.
What are the key properties of propan-2-yl 2-(5-chloroimidazo[1,2-a]pyridin-2-yl)acetate?
propan-2-yl 2-(5-chloroimidazo[1,2-a]pyridin-2-yl)acetate has a molecular weight of 252.70 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(5-chloroimidazo[1,2-a]pyridin-2-yl)acetate is sourced from PubChem (CID 135395941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).