1,2-dichloro-3-methylbenzene;ethyl 3-chloro-5-methylpyrazine-2-carboxylate

C15H15Cl3N2O2 — CID 145442850

IUPAC1,2-dichloro-3-methylbenzene;ethyl 3-chloro-5-methylpyrazine-2-carboxylate
SMILESCCOC(=O)c1ncc(C)nc1Cl.Cc1cccc(Cl)c1Cl
InChIInChI=1S/C8H9ClN2O2.C7H6Cl2/c1-3-13-8(12)6-7(9)11-5(2)4-10-6;1-5-3-2-4-6(8)7(5)9/h4H,3H2,1-2H3;2-4H,1H3
InChIKeyOGQBPMSVBROMHL-UHFFFAOYSA-N
MW361.66 g/mol
LogP4.92
Rot. Bonds2

About 1,2-dichloro-3-methylbenzene;ethyl 3-chloro-5-methylpyrazine-2-carboxylate

1,2-dichloro-3-methylbenzene;ethyl 3-chloro-5-methylpyrazine-2-carboxylate (PubChem CID 145442850) has the molecular formula C15H15Cl3N2O2 and a molecular weight of 361.66 g/mol. Its IUPAC name is 1,2-dichloro-3-methylbenzene;ethyl 3-chloro-5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name1,2-dichloro-3-methylbenzene;ethyl 3-chloro-5-methylpyrazine-2-carboxylate
PubChem CID145442850
Molecular FormulaC15H15Cl3N2O2
Molecular Weight361.66 g/mol
Exact Mass360.02
IUPAC Name1,2-dichloro-3-methylbenzene;ethyl 3-chloro-5-methylpyrazine-2-carboxylate
SMILESCCOC(=O)c1ncc(C)nc1Cl.Cc1cccc(Cl)c1Cl
InChIInChI=1S/C8H9ClN2O2.C7H6Cl2/c1-3-13-8(12)6-7(9)11-5(2)4-10-6;1-5-3-2-4-6(8)7(5)9/h4H,3H2,1-2H3;2-4H,1H3
InChIKeyOGQBPMSVBROMHL-UHFFFAOYSA-N
XLogP4.92
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.66
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3-methylbenzene;ethyl 3-chloro-5-methylpyrazine-2-carboxylate?
The IUPAC name of 1,2-dichloro-3-methylbenzene;ethyl 3-chloro-5-methylpyrazine-2-carboxylate (CID 145442850) is 1,2-dichloro-3-methylbenzene;ethyl 3-chloro-5-methylpyrazine-2-carboxylate.
What is the SMILES notation for 1,2-dichloro-3-methylbenzene;ethyl 3-chloro-5-methylpyrazine-2-carboxylate?
The canonical SMILES for 1,2-dichloro-3-methylbenzene;ethyl 3-chloro-5-methylpyrazine-2-carboxylate is CCOC(=O)c1ncc(C)nc1Cl.Cc1cccc(Cl)c1Cl.
What is the InChIKey of 1,2-dichloro-3-methylbenzene;ethyl 3-chloro-5-methylpyrazine-2-carboxylate?
The InChIKey is OGQBPMSVBROMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2.C7H6Cl2/c1-3-13-8(12)6-7(9)11-5(2)4-10-6;1-5-3-2-4-6(8)7(5)9/h4H,3H2,1-2H3;2-4H,1H3.
What are the key properties of 1,2-dichloro-3-methylbenzene;ethyl 3-chloro-5-methylpyrazine-2-carboxylate?
1,2-dichloro-3-methylbenzene;ethyl 3-chloro-5-methylpyrazine-2-carboxylate has a molecular weight of 361.66 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3-methylbenzene;ethyl 3-chloro-5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 145442850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).