3-(5-chloropyrazin-2-yl)butanoic acid

C8H9ClN2O2 — CID 83831777

IUPAC3-(5-chloropyrazin-2-yl)butanoic acid
SMILESCC(CC(=O)O)c1cnc(Cl)cn1
InChIInChI=1S/C8H9ClN2O2/c1-5(2-8(12)13)6-3-11-7(9)4-10-6/h3-5H,2H2,1H3,(H,12,13)
InChIKeyVYULQZDXUJCZOZ-UHFFFAOYSA-N
MW200.62 g/mol
LogP1.71
Rot. Bonds3

About 3-(5-chloropyrazin-2-yl)butanoic acid

3-(5-chloropyrazin-2-yl)butanoic acid (PubChem CID 83831777) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.62 g/mol. Its IUPAC name is 3-(5-chloropyrazin-2-yl)butanoic acid.

Molecular Properties

Compound Name3-(5-chloropyrazin-2-yl)butanoic acid
PubChem CID83831777
Molecular FormulaC8H9ClN2O2
Molecular Weight200.62 g/mol
Exact Mass200.04
IUPAC Name3-(5-chloropyrazin-2-yl)butanoic acid
SMILESCC(CC(=O)O)c1cnc(Cl)cn1
InChIInChI=1S/C8H9ClN2O2/c1-5(2-8(12)13)6-3-11-7(9)4-10-6/h3-5H,2H2,1H3,(H,12,13)
InChIKeyVYULQZDXUJCZOZ-UHFFFAOYSA-N
XLogP1.71
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloropyrazin-2-yl)butanoic acid?
The IUPAC name of 3-(5-chloropyrazin-2-yl)butanoic acid (CID 83831777) is 3-(5-chloropyrazin-2-yl)butanoic acid.
What is the SMILES notation for 3-(5-chloropyrazin-2-yl)butanoic acid?
The canonical SMILES for 3-(5-chloropyrazin-2-yl)butanoic acid is CC(CC(=O)O)c1cnc(Cl)cn1.
What is the InChIKey of 3-(5-chloropyrazin-2-yl)butanoic acid?
The InChIKey is VYULQZDXUJCZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c1-5(2-8(12)13)6-3-11-7(9)4-10-6/h3-5H,2H2,1H3,(H,12,13).
What are the key properties of 3-(5-chloropyrazin-2-yl)butanoic acid?
3-(5-chloropyrazin-2-yl)butanoic acid has a molecular weight of 200.62 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloropyrazin-2-yl)butanoic acid is sourced from PubChem (CID 83831777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).