2-(6-methylpyrazin-2-yl)acetic acid

C7H8N2O2 — CID 82594952

IUPAC2-(6-methylpyrazin-2-yl)acetic acid
SMILESCc1cncc(CC(=O)O)n1
InChIInChI=1S/C7H8N2O2/c1-5-3-8-4-6(9-5)2-7(10)11/h3-4H,2H2,1H3,(H,10,11)
InChIKeyQZQQYMBZWLAPFP-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.41
Rot. Bonds2

About 2-(6-methylpyrazin-2-yl)acetic acid

2-(6-methylpyrazin-2-yl)acetic acid (PubChem CID 82594952) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 2-(6-methylpyrazin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(6-methylpyrazin-2-yl)acetic acid
PubChem CID82594952
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name2-(6-methylpyrazin-2-yl)acetic acid
SMILESCc1cncc(CC(=O)O)n1
InChIInChI=1S/C7H8N2O2/c1-5-3-8-4-6(9-5)2-7(10)11/h3-4H,2H2,1H3,(H,10,11)
InChIKeyQZQQYMBZWLAPFP-UHFFFAOYSA-N
XLogP0.41
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methylpyrazin-2-yl)acetic acid?
The IUPAC name of 2-(6-methylpyrazin-2-yl)acetic acid (CID 82594952) is 2-(6-methylpyrazin-2-yl)acetic acid.
What is the SMILES notation for 2-(6-methylpyrazin-2-yl)acetic acid?
The canonical SMILES for 2-(6-methylpyrazin-2-yl)acetic acid is Cc1cncc(CC(=O)O)n1.
What is the InChIKey of 2-(6-methylpyrazin-2-yl)acetic acid?
The InChIKey is QZQQYMBZWLAPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-5-3-8-4-6(9-5)2-7(10)11/h3-4H,2H2,1H3,(H,10,11).
What are the key properties of 2-(6-methylpyrazin-2-yl)acetic acid?
2-(6-methylpyrazin-2-yl)acetic acid has a molecular weight of 152.15 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylpyrazin-2-yl)acetic acid is sourced from PubChem (CID 82594952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).