3-(6-chloropyrazin-2-yl)propanoic acid

C7H7ClN2O2 — CID 178201129

IUPAC3-(6-chloropyrazin-2-yl)propanoic acid
SMILESO=C(O)CCc1cncc(Cl)n1
InChIInChI=1S/C7H7ClN2O2/c8-6-4-9-3-5(10-6)1-2-7(11)12/h3-4H,1-2H2,(H,11,12)
InChIKeyUTIRBWJKGUNJPE-UHFFFAOYSA-N
MW186.60 g/mol
LogP1.15
Rot. Bonds3

About 3-(6-chloropyrazin-2-yl)propanoic acid

3-(6-chloropyrazin-2-yl)propanoic acid (PubChem CID 178201129) has the molecular formula C7H7ClN2O2 and a molecular weight of 186.60 g/mol. Its IUPAC name is 3-(6-chloropyrazin-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(6-chloropyrazin-2-yl)propanoic acid
PubChem CID178201129
Molecular FormulaC7H7ClN2O2
Molecular Weight186.60 g/mol
Exact Mass186.02
IUPAC Name3-(6-chloropyrazin-2-yl)propanoic acid
SMILESO=C(O)CCc1cncc(Cl)n1
InChIInChI=1S/C7H7ClN2O2/c8-6-4-9-3-5(10-6)1-2-7(11)12/h3-4H,1-2H2,(H,11,12)
InChIKeyUTIRBWJKGUNJPE-UHFFFAOYSA-N
XLogP1.15
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.60
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloropyrazin-2-yl)propanoic acid?
The IUPAC name of 3-(6-chloropyrazin-2-yl)propanoic acid (CID 178201129) is 3-(6-chloropyrazin-2-yl)propanoic acid.
What is the SMILES notation for 3-(6-chloropyrazin-2-yl)propanoic acid?
The canonical SMILES for 3-(6-chloropyrazin-2-yl)propanoic acid is O=C(O)CCc1cncc(Cl)n1.
What is the InChIKey of 3-(6-chloropyrazin-2-yl)propanoic acid?
The InChIKey is UTIRBWJKGUNJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O2/c8-6-4-9-3-5(10-6)1-2-7(11)12/h3-4H,1-2H2,(H,11,12).
What are the key properties of 3-(6-chloropyrazin-2-yl)propanoic acid?
3-(6-chloropyrazin-2-yl)propanoic acid has a molecular weight of 186.60 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloropyrazin-2-yl)propanoic acid is sourced from PubChem (CID 178201129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).