3-amino-5-chloropyrazine-2-carboxylic acid

C5H4ClN3O2 — CID 53418769

IUPAC3-amino-5-chloropyrazine-2-carboxylic acid
SMILESNc1nc(Cl)cnc1C(=O)O
InChIInChI=1S/C5H4ClN3O2/c6-2-1-8-3(5(10)11)4(7)9-2/h1H,(H2,7,9)(H,10,11)
InChIKeyQSLXZTVOEMVHSL-UHFFFAOYSA-N
MW173.56 g/mol
LogP0.41
Rot. Bonds1

About 3-amino-5-chloropyrazine-2-carboxylic acid

3-amino-5-chloropyrazine-2-carboxylic acid (PubChem CID 53418769) has the molecular formula C5H4ClN3O2 and a molecular weight of 173.56 g/mol. Its IUPAC name is 3-amino-5-chloropyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-chloropyrazine-2-carboxylic acid
PubChem CID53418769
Molecular FormulaC5H4ClN3O2
Molecular Weight173.56 g/mol
Exact Mass173.00
IUPAC Name3-amino-5-chloropyrazine-2-carboxylic acid
SMILESNc1nc(Cl)cnc1C(=O)O
InChIInChI=1S/C5H4ClN3O2/c6-2-1-8-3(5(10)11)4(7)9-2/h1H,(H2,7,9)(H,10,11)
InChIKeyQSLXZTVOEMVHSL-UHFFFAOYSA-N
XLogP0.41
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.56
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloropyrazine-2-carboxylic acid?
The IUPAC name of 3-amino-5-chloropyrazine-2-carboxylic acid (CID 53418769) is 3-amino-5-chloropyrazine-2-carboxylic acid.
What is the SMILES notation for 3-amino-5-chloropyrazine-2-carboxylic acid?
The canonical SMILES for 3-amino-5-chloropyrazine-2-carboxylic acid is Nc1nc(Cl)cnc1C(=O)O.
What is the InChIKey of 3-amino-5-chloropyrazine-2-carboxylic acid?
The InChIKey is QSLXZTVOEMVHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClN3O2/c6-2-1-8-3(5(10)11)4(7)9-2/h1H,(H2,7,9)(H,10,11).
What are the key properties of 3-amino-5-chloropyrazine-2-carboxylic acid?
3-amino-5-chloropyrazine-2-carboxylic acid has a molecular weight of 173.56 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloropyrazine-2-carboxylic acid is sourced from PubChem (CID 53418769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).