methyl 5-chloroimidazo[1,2-a]pyridine-2-carboxylate

C9H7ClN2O2 — CID 135397067

IUPACmethyl 5-chloroimidazo[1,2-a]pyridine-2-carboxylate
SMILESCOC(=O)c1cn2c(Cl)cccc2n1
InChIInChI=1S/C9H7ClN2O2/c1-14-9(13)6-5-12-7(10)3-2-4-8(12)11-6/h2-5H,1H3
InChIKeyUIGFPNNQVMPNLB-UHFFFAOYSA-N
MW210.62 g/mol
LogP1.77
Rot. Bonds1

About methyl 5-chloroimidazo[1,2-a]pyridine-2-carboxylate

methyl 5-chloroimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 135397067) has the molecular formula C9H7ClN2O2 and a molecular weight of 210.62 g/mol. Its IUPAC name is methyl 5-chloroimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloroimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID135397067
Molecular FormulaC9H7ClN2O2
Molecular Weight210.62 g/mol
Exact Mass210.02
IUPAC Namemethyl 5-chloroimidazo[1,2-a]pyridine-2-carboxylate
SMILESCOC(=O)c1cn2c(Cl)cccc2n1
InChIInChI=1S/C9H7ClN2O2/c1-14-9(13)6-5-12-7(10)3-2-4-8(12)11-6/h2-5H,1H3
InChIKeyUIGFPNNQVMPNLB-UHFFFAOYSA-N
XLogP1.77
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 51.77
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
5-chloroimidazo[1,2-a]pyridin-2-ol
CID 105433971
methyl 6-chloroimidazo[1,2-a]pyrazine-2-carboxylate
CID 131542760
propan-2-yl 2-(5-chloroimidazo[1,2-a]pyridin-2-yl)acetate
CID 135395941
methyl 1-bromo-5-chloroindolizine-2-carboxylate
CID 171530971
ethyl 6-chloroimidazo[1,2-a]quinoline-2-carboxylate
CID 12763984
tert-butyl 5-fluoroimidazo[1,2-a]pyridine-2-carboxylate
CID 135396105
methyl 7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 59764217
5-methylimidazo[1,2-a]pyridine-2-carbohydrazide
CID 43236612
methyl 5-chloro-2-(4-methoxyphenyl)indolizine-1-carboxylate
CID 101440255
(3,3-dimethyl-2-oxobutyl) 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 75412698
5-ethoxycarbonylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 155820424

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloroimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of methyl 5-chloroimidazo[1,2-a]pyridine-2-carboxylate (CID 135397067) is methyl 5-chloroimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-chloroimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-chloroimidazo[1,2-a]pyridine-2-carboxylate is COC(=O)c1cn2c(Cl)cccc2n1.
What is the InChIKey of methyl 5-chloroimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is UIGFPNNQVMPNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2/c1-14-9(13)6-5-12-7(10)3-2-4-8(12)11-6/h2-5H,1H3.
What are the key properties of methyl 5-chloroimidazo[1,2-a]pyridine-2-carboxylate?
methyl 5-chloroimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 210.62 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloroimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 135397067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).