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

C8H9ClN2O2 — CID 86694118

IUPAC2-(3-chloropyrazin-2-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1nccnc1Cl
InChIInChI=1S/C8H9ClN2O2/c1-8(2,7(12)13)5-6(9)11-4-3-10-5/h3-4H,1-2H3,(H,12,13)
InChIKeyAVLLBMUBOUSJBF-UHFFFAOYSA-N
MW200.62 g/mol
LogP1.49
Rot. Bonds2

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

2-(3-chloropyrazin-2-yl)-2-methylpropanoic acid (PubChem CID 86694118) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.62 g/mol. Its IUPAC name is 2-(3-chloropyrazin-2-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(3-chloropyrazin-2-yl)-2-methylpropanoic acid
PubChem CID86694118
Molecular FormulaC8H9ClN2O2
Molecular Weight200.62 g/mol
Exact Mass200.04
IUPAC Name2-(3-chloropyrazin-2-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1nccnc1Cl
InChIInChI=1S/C8H9ClN2O2/c1-8(2,7(12)13)5-6(9)11-4-3-10-5/h3-4H,1-2H3,(H,12,13)
InChIKeyAVLLBMUBOUSJBF-UHFFFAOYSA-N
XLogP1.49
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropyrazin-2-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(3-chloropyrazin-2-yl)-2-methylpropanoic acid (CID 86694118) is 2-(3-chloropyrazin-2-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(3-chloropyrazin-2-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(3-chloropyrazin-2-yl)-2-methylpropanoic acid is CC(C)(C(=O)O)c1nccnc1Cl.
What is the InChIKey of 2-(3-chloropyrazin-2-yl)-2-methylpropanoic acid?
The InChIKey is AVLLBMUBOUSJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c1-8(2,7(12)13)5-6(9)11-4-3-10-5/h3-4H,1-2H3,(H,12,13).
What are the key properties of 2-(3-chloropyrazin-2-yl)-2-methylpropanoic acid?
2-(3-chloropyrazin-2-yl)-2-methylpropanoic acid has a molecular weight of 200.62 g/mol, XLogP of 1.49, 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)-2-methylpropanoic acid is sourced from PubChem (CID 86694118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).