2-[(5-chloropyrazin-2-yl)methyl]-2-methylpentanoic acid

C11H15ClN2O2 — CID 103055148

IUPAC2-[(5-chloropyrazin-2-yl)methyl]-2-methylpentanoic acid
SMILESCCCC(C)(Cc1cnc(Cl)cn1)C(=O)O
InChIInChI=1S/C11H15ClN2O2/c1-3-4-11(2,10(15)16)5-8-6-14-9(12)7-13-8/h6-7H,3-5H2,1-2H3,(H,15,16)
InChIKeyXBBJLIRTYIEQMV-UHFFFAOYSA-N
MW242.71 g/mol
LogP2.56
Rot. Bonds5

About 2-[(5-chloropyrazin-2-yl)methyl]-2-methylpentanoic acid

2-[(5-chloropyrazin-2-yl)methyl]-2-methylpentanoic acid (PubChem CID 103055148) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-[(5-chloropyrazin-2-yl)methyl]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(5-chloropyrazin-2-yl)methyl]-2-methylpentanoic acid
PubChem CID103055148
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name2-[(5-chloropyrazin-2-yl)methyl]-2-methylpentanoic acid
SMILESCCCC(C)(Cc1cnc(Cl)cn1)C(=O)O
InChIInChI=1S/C11H15ClN2O2/c1-3-4-11(2,10(15)16)5-8-6-14-9(12)7-13-8/h6-7H,3-5H2,1-2H3,(H,15,16)
InChIKeyXBBJLIRTYIEQMV-UHFFFAOYSA-N
XLogP2.56
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(5-chloropyrazin-2-yl)methyl]-2-methylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloropyrazin-2-yl)methyl]-2-methylpentanoic acid?
The IUPAC name of 2-[(5-chloropyrazin-2-yl)methyl]-2-methylpentanoic acid (CID 103055148) is 2-[(5-chloropyrazin-2-yl)methyl]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(5-chloropyrazin-2-yl)methyl]-2-methylpentanoic acid?
The canonical SMILES for 2-[(5-chloropyrazin-2-yl)methyl]-2-methylpentanoic acid is CCCC(C)(Cc1cnc(Cl)cn1)C(=O)O.
What is the InChIKey of 2-[(5-chloropyrazin-2-yl)methyl]-2-methylpentanoic acid?
The InChIKey is XBBJLIRTYIEQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-3-4-11(2,10(15)16)5-8-6-14-9(12)7-13-8/h6-7H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 2-[(5-chloropyrazin-2-yl)methyl]-2-methylpentanoic acid?
2-[(5-chloropyrazin-2-yl)methyl]-2-methylpentanoic acid has a molecular weight of 242.71 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloropyrazin-2-yl)methyl]-2-methylpentanoic acid is sourced from PubChem (CID 103055148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).