2-pyrazin-2-ylacetic acid

C6H6N2O2 — CID 19797048

IUPAC2-pyrazin-2-ylacetic acid
SMILESO=C(O)Cc1cnccn1
InChIInChI=1S/C6H6N2O2/c9-6(10)3-5-4-7-1-2-8-5/h1-2,4H,3H2,(H,9,10)
InChIKeyPSDADIDIQCPEQC-UHFFFAOYSA-N
MW138.13 g/mol
LogP0.10
Rot. Bonds2

About 2-pyrazin-2-ylacetic acid

2-pyrazin-2-ylacetic acid (PubChem CID 19797048) has the molecular formula C6H6N2O2 and a molecular weight of 138.13 g/mol. Its IUPAC name is 2-pyrazin-2-ylacetic acid.

Molecular Properties

Compound Name2-pyrazin-2-ylacetic acid
PubChem CID19797048
Molecular FormulaC6H6N2O2
Molecular Weight138.13 g/mol
Exact Mass138.04
IUPAC Name2-pyrazin-2-ylacetic acid
SMILESO=C(O)Cc1cnccn1
InChIInChI=1S/C6H6N2O2/c9-6(10)3-5-4-7-1-2-8-5/h1-2,4H,3H2,(H,9,10)
InChIKeyPSDADIDIQCPEQC-UHFFFAOYSA-N
XLogP0.10
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-di(pyrazin-2-yl)butane-2,3-dione
CID 57316761
5-pyrazin-2-ylpentanoic acid
CID 22934386
8-pyrazin-2-yloctanoic acid
CID 67107978
2-pyrazin-2-yl-1-pyridin-2-ylethanone
CID 3739313
(2S)-2-amino-3-pyrazin-2-ylpropanoic acid;hydrochloride
CID 178184520
2-amino-2-methyl-3-pyrazin-2-ylpropanoic acid
CID 130039613
O-methyl 2-pyrazin-2-ylethanethioate
CID 87853885
CID 131857449
CID 131857449
1-(4-methylsulfanylphenyl)-2-pyrazin-2-ylethanone
CID 116832739
2-(iodomethyl)pyrazine
CID 21189711
2-(6-methylpyrazin-2-yl)acetic acid
CID 82594952
1-pyrazin-2-ylhexan-3-one
CID 64504751

Frequently Asked Questions

What is the IUPAC name of 2-pyrazin-2-ylacetic acid?
The IUPAC name of 2-pyrazin-2-ylacetic acid (CID 19797048) is 2-pyrazin-2-ylacetic acid.
What is the SMILES notation for 2-pyrazin-2-ylacetic acid?
The canonical SMILES for 2-pyrazin-2-ylacetic acid is O=C(O)Cc1cnccn1.
What is the InChIKey of 2-pyrazin-2-ylacetic acid?
The InChIKey is PSDADIDIQCPEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2/c9-6(10)3-5-4-7-1-2-8-5/h1-2,4H,3H2,(H,9,10).
What are the key properties of 2-pyrazin-2-ylacetic acid?
2-pyrazin-2-ylacetic acid has a molecular weight of 138.13 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazin-2-ylacetic acid is sourced from PubChem (CID 19797048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).