methyl 6-chloroimidazo[1,2-a]pyrazine-2-carboxylate

C8H6ClN3O2 — CID 131542760

IUPACmethyl 6-chloroimidazo[1,2-a]pyrazine-2-carboxylate
SMILESCOC(=O)c1cn2cc(Cl)ncc2n1
InChIInChI=1S/C8H6ClN3O2/c1-14-8(13)5-3-12-4-6(9)10-2-7(12)11-5/h2-4H,1H3
InChIKeyYHHAJRBGJGQXCM-UHFFFAOYSA-N
MW211.61 g/mol
LogP1.17
Rot. Bonds1

About methyl 6-chloroimidazo[1,2-a]pyrazine-2-carboxylate

methyl 6-chloroimidazo[1,2-a]pyrazine-2-carboxylate (PubChem CID 131542760) has the molecular formula C8H6ClN3O2 and a molecular weight of 211.61 g/mol. Its IUPAC name is methyl 6-chloroimidazo[1,2-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloroimidazo[1,2-a]pyrazine-2-carboxylate
PubChem CID131542760
Molecular FormulaC8H6ClN3O2
Molecular Weight211.61 g/mol
Exact Mass211.01
IUPAC Namemethyl 6-chloroimidazo[1,2-a]pyrazine-2-carboxylate
SMILESCOC(=O)c1cn2cc(Cl)ncc2n1
InChIInChI=1S/C8H6ClN3O2/c1-14-8(13)5-3-12-4-6(9)10-2-7(12)11-5/h2-4H,1H3
InChIKeyYHHAJRBGJGQXCM-UHFFFAOYSA-N
XLogP1.17
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.61
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-chloroimidazo[1,2-a]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-chloroimidazo[1,2-a]pyrazine-2-carboxylate (CID 131542760) is methyl 6-chloroimidazo[1,2-a]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-chloroimidazo[1,2-a]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-chloroimidazo[1,2-a]pyrazine-2-carboxylate is COC(=O)c1cn2cc(Cl)ncc2n1.
What is the InChIKey of methyl 6-chloroimidazo[1,2-a]pyrazine-2-carboxylate?
The InChIKey is YHHAJRBGJGQXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O2/c1-14-8(13)5-3-12-4-6(9)10-2-7(12)11-5/h2-4H,1H3.
What are the key properties of methyl 6-chloroimidazo[1,2-a]pyrazine-2-carboxylate?
methyl 6-chloroimidazo[1,2-a]pyrazine-2-carboxylate has a molecular weight of 211.61 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloroimidazo[1,2-a]pyrazine-2-carboxylate is sourced from PubChem (CID 131542760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).