2-(3-chloropyrazin-2-yl)propanoic acid

C7H7ClN2O2 — CID 175668378

IUPAC2-(3-chloropyrazin-2-yl)propanoic acid
SMILESCC(C(=O)O)c1nccnc1Cl
InChIInChI=1S/C7H7ClN2O2/c1-4(7(11)12)5-6(8)10-3-2-9-5/h2-4H,1H3,(H,11,12)
InChIKeySXOBURXDRYUFBD-UHFFFAOYSA-N
MW186.60 g/mol
LogP1.32
Rot. Bonds2

About 2-(3-chloropyrazin-2-yl)propanoic acid

2-(3-chloropyrazin-2-yl)propanoic acid (PubChem CID 175668378) has the molecular formula C7H7ClN2O2 and a molecular weight of 186.60 g/mol. Its IUPAC name is 2-(3-chloropyrazin-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(3-chloropyrazin-2-yl)propanoic acid
PubChem CID175668378
Molecular FormulaC7H7ClN2O2
Molecular Weight186.60 g/mol
Exact Mass186.02
IUPAC Name2-(3-chloropyrazin-2-yl)propanoic acid
SMILESCC(C(=O)O)c1nccnc1Cl
InChIInChI=1S/C7H7ClN2O2/c1-4(7(11)12)5-6(8)10-3-2-9-5/h2-4H,1H3,(H,11,12)
InChIKeySXOBURXDRYUFBD-UHFFFAOYSA-N
XLogP1.32
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.60
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-chloropyrazin-2-yl)propanoic 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-(3-chloropyrazin-2-yl)propanoic acid?
The IUPAC name of 2-(3-chloropyrazin-2-yl)propanoic acid (CID 175668378) is 2-(3-chloropyrazin-2-yl)propanoic acid.
What is the SMILES notation for 2-(3-chloropyrazin-2-yl)propanoic acid?
The canonical SMILES for 2-(3-chloropyrazin-2-yl)propanoic acid is CC(C(=O)O)c1nccnc1Cl.
What is the InChIKey of 2-(3-chloropyrazin-2-yl)propanoic acid?
The InChIKey is SXOBURXDRYUFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O2/c1-4(7(11)12)5-6(8)10-3-2-9-5/h2-4H,1H3,(H,11,12).
What are the key properties of 2-(3-chloropyrazin-2-yl)propanoic acid?
2-(3-chloropyrazin-2-yl)propanoic acid has a molecular weight of 186.60 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropyrazin-2-yl)propanoic acid is sourced from PubChem (CID 175668378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).