ethyl 1-chloro-8-methylpyrrolo[1,2-a]pyrazine-7-carboxylate

C11H11ClN2O2 — CID 59788143

IUPACethyl 1-chloro-8-methylpyrrolo[1,2-a]pyrazine-7-carboxylate
SMILESCCOC(=O)c1cn2ccnc(Cl)c2c1C
InChIInChI=1S/C11H11ClN2O2/c1-3-16-11(15)8-6-14-5-4-13-10(12)9(14)7(8)2/h4-6H,3H2,1-2H3
InChIKeyMJWVTWIUCRAGBI-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.47
Rot. Bonds2

About ethyl 1-chloro-8-methylpyrrolo[1,2-a]pyrazine-7-carboxylate

ethyl 1-chloro-8-methylpyrrolo[1,2-a]pyrazine-7-carboxylate (PubChem CID 59788143) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is ethyl 1-chloro-8-methylpyrrolo[1,2-a]pyrazine-7-carboxylate.

Molecular Properties

Compound Nameethyl 1-chloro-8-methylpyrrolo[1,2-a]pyrazine-7-carboxylate
PubChem CID59788143
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Nameethyl 1-chloro-8-methylpyrrolo[1,2-a]pyrazine-7-carboxylate
SMILESCCOC(=O)c1cn2ccnc(Cl)c2c1C
InChIInChI=1S/C11H11ClN2O2/c1-3-16-11(15)8-6-14-5-4-13-10(12)9(14)7(8)2/h4-6H,3H2,1-2H3
InChIKeyMJWVTWIUCRAGBI-UHFFFAOYSA-N
XLogP2.47
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 8-methylpyrrolo[1,2-a]pyrazine-7-carboxylate
CID 178138656
ethyl 4-chloro-5-methylpyrrolo[1,2-b]pyridazine-6-carboxylate
CID 58859633
ethyl 6-methylimidazo[1,2-a]pyridine-7-carboxylate
CID 76849693
diethyl 2-chloropyridine-3,4-dicarboxylate
CID 86639619
ethyl 4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboperoxoate
CID 87621136
ethyl 6-chloro-1-ethyl-10-methyl-4-oxopyrido[3,4-g]quinoline-3-carboxylate
CID 10405257
ethyl 2-chloro-3-pyridin-4-ylpyridine-4-carboxylate
CID 46317836
ethyl 3-chloro-2-oxopyrazine-1-carboxylate
CID 66521756
ethyl imidazo[1,2-b]pyridazine-8-carboxylate
CID 139465945
ethyl imidazo[1,2-a]pyrimidine-7-carboxylate
CID 51358225
diethyl 5-chloropyridine-2,3-dicarboxylate
CID 14097638
diethyl 4,5-dichlorobenzene-1,2-dicarboxylate
CID 10517655

Frequently Asked Questions

What is the IUPAC name of ethyl 1-chloro-8-methylpyrrolo[1,2-a]pyrazine-7-carboxylate?
The IUPAC name of ethyl 1-chloro-8-methylpyrrolo[1,2-a]pyrazine-7-carboxylate (CID 59788143) is ethyl 1-chloro-8-methylpyrrolo[1,2-a]pyrazine-7-carboxylate.
What is the SMILES notation for ethyl 1-chloro-8-methylpyrrolo[1,2-a]pyrazine-7-carboxylate?
The canonical SMILES for ethyl 1-chloro-8-methylpyrrolo[1,2-a]pyrazine-7-carboxylate is CCOC(=O)c1cn2ccnc(Cl)c2c1C.
What is the InChIKey of ethyl 1-chloro-8-methylpyrrolo[1,2-a]pyrazine-7-carboxylate?
The InChIKey is MJWVTWIUCRAGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c1-3-16-11(15)8-6-14-5-4-13-10(12)9(14)7(8)2/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 1-chloro-8-methylpyrrolo[1,2-a]pyrazine-7-carboxylate?
ethyl 1-chloro-8-methylpyrrolo[1,2-a]pyrazine-7-carboxylate has a molecular weight of 238.67 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-chloro-8-methylpyrrolo[1,2-a]pyrazine-7-carboxylate is sourced from PubChem (CID 59788143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).