ethyl 1,3-dichloro-6,8-dimethylpyrrolo[1,2-a]pyrazine-7-carboxylate

C12H12Cl2N2O2 — CID 163273456

IUPACethyl 1,3-dichloro-6,8-dimethylpyrrolo[1,2-a]pyrazine-7-carboxylate
SMILESCCOC(=O)c1c(C)c2c(Cl)nc(Cl)cn2c1C
InChIInChI=1S/C12H12Cl2N2O2/c1-4-18-12(17)9-6(2)10-11(14)15-8(13)5-16(10)7(9)3/h5H,4H2,1-3H3
InChIKeyQKMOOJQAPKMBMC-UHFFFAOYSA-N
MW287.15 g/mol
LogP3.43
Rot. Bonds2

About ethyl 1,3-dichloro-6,8-dimethylpyrrolo[1,2-a]pyrazine-7-carboxylate

ethyl 1,3-dichloro-6,8-dimethylpyrrolo[1,2-a]pyrazine-7-carboxylate (PubChem CID 163273456) has the molecular formula C12H12Cl2N2O2 and a molecular weight of 287.15 g/mol. Its IUPAC name is ethyl 1,3-dichloro-6,8-dimethylpyrrolo[1,2-a]pyrazine-7-carboxylate.

Molecular Properties

Compound Nameethyl 1,3-dichloro-6,8-dimethylpyrrolo[1,2-a]pyrazine-7-carboxylate
PubChem CID163273456
Molecular FormulaC12H12Cl2N2O2
Molecular Weight287.15 g/mol
Exact Mass286.03
IUPAC Nameethyl 1,3-dichloro-6,8-dimethylpyrrolo[1,2-a]pyrazine-7-carboxylate
SMILESCCOC(=O)c1c(C)c2c(Cl)nc(Cl)cn2c1C
InChIInChI=1S/C12H12Cl2N2O2/c1-4-18-12(17)9-6(2)10-11(14)15-8(13)5-16(10)7(9)3/h5H,4H2,1-3H3
InChIKeyQKMOOJQAPKMBMC-UHFFFAOYSA-N
XLogP3.43
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1,3-dichloro-6,8-dimethylpyrrolo[1,2-a]pyrazine-7-carboxylate?
The IUPAC name of ethyl 1,3-dichloro-6,8-dimethylpyrrolo[1,2-a]pyrazine-7-carboxylate (CID 163273456) is ethyl 1,3-dichloro-6,8-dimethylpyrrolo[1,2-a]pyrazine-7-carboxylate.
What is the SMILES notation for ethyl 1,3-dichloro-6,8-dimethylpyrrolo[1,2-a]pyrazine-7-carboxylate?
The canonical SMILES for ethyl 1,3-dichloro-6,8-dimethylpyrrolo[1,2-a]pyrazine-7-carboxylate is CCOC(=O)c1c(C)c2c(Cl)nc(Cl)cn2c1C.
What is the InChIKey of ethyl 1,3-dichloro-6,8-dimethylpyrrolo[1,2-a]pyrazine-7-carboxylate?
The InChIKey is QKMOOJQAPKMBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O2/c1-4-18-12(17)9-6(2)10-11(14)15-8(13)5-16(10)7(9)3/h5H,4H2,1-3H3.
What are the key properties of ethyl 1,3-dichloro-6,8-dimethylpyrrolo[1,2-a]pyrazine-7-carboxylate?
ethyl 1,3-dichloro-6,8-dimethylpyrrolo[1,2-a]pyrazine-7-carboxylate has a molecular weight of 287.15 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,3-dichloro-6,8-dimethylpyrrolo[1,2-a]pyrazine-7-carboxylate is sourced from PubChem (CID 163273456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).