1-chloro-7-methylpyrrolo[1,2-a]pyrazine

C8H7ClN2 — CID 14292627

IUPAC1-chloro-7-methylpyrrolo[1,2-a]pyrazine
SMILESCc1cc2c(Cl)nccn2c1
InChIInChI=1S/C8H7ClN2/c1-6-4-7-8(9)10-2-3-11(7)5-6/h2-5H,1H3
InChIKeyWLOSAJNEYIMLQE-UHFFFAOYSA-N
MW166.61 g/mol
LogP2.30
Rot. Bonds

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

1-chloro-7-methylpyrrolo[1,2-a]pyrazine (PubChem CID 14292627) has the molecular formula C8H7ClN2 and a molecular weight of 166.61 g/mol. Its IUPAC name is 1-chloro-7-methylpyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name1-chloro-7-methylpyrrolo[1,2-a]pyrazine
PubChem CID14292627
Molecular FormulaC8H7ClN2
Molecular Weight166.61 g/mol
Exact Mass166.03
IUPAC Name1-chloro-7-methylpyrrolo[1,2-a]pyrazine
SMILESCc1cc2c(Cl)nccn2c1
InChIInChI=1S/C8H7ClN2/c1-6-4-7-8(9)10-2-3-11(7)5-6/h2-5H,1H3
InChIKeyWLOSAJNEYIMLQE-UHFFFAOYSA-N
XLogP2.30
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.61
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-7-methylpyrrolo[1,2-a]pyrazine?
The IUPAC name of 1-chloro-7-methylpyrrolo[1,2-a]pyrazine (CID 14292627) is 1-chloro-7-methylpyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 1-chloro-7-methylpyrrolo[1,2-a]pyrazine?
The canonical SMILES for 1-chloro-7-methylpyrrolo[1,2-a]pyrazine is Cc1cc2c(Cl)nccn2c1.
What is the InChIKey of 1-chloro-7-methylpyrrolo[1,2-a]pyrazine?
The InChIKey is WLOSAJNEYIMLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2/c1-6-4-7-8(9)10-2-3-11(7)5-6/h2-5H,1H3.
What are the key properties of 1-chloro-7-methylpyrrolo[1,2-a]pyrazine?
1-chloro-7-methylpyrrolo[1,2-a]pyrazine has a molecular weight of 166.61 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-7-methylpyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 14292627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).