6-amino-3-chloropyrazine-2-carboxylic acid

C5H4ClN3O2 — CID 91873832

IUPAC6-amino-3-chloropyrazine-2-carboxylic acid
SMILESNc1cnc(Cl)c(C(=O)O)n1
InChIInChI=1S/C5H4ClN3O2/c6-4-3(5(10)11)9-2(7)1-8-4/h1H,(H2,7,9)(H,10,11)
InChIKeyDCQHHVZMPFEQPB-UHFFFAOYSA-N
MW173.56 g/mol
LogP0.41
Rot. Bonds1

About 6-amino-3-chloropyrazine-2-carboxylic acid

6-amino-3-chloropyrazine-2-carboxylic acid (PubChem CID 91873832) has the molecular formula C5H4ClN3O2 and a molecular weight of 173.56 g/mol. Its IUPAC name is 6-amino-3-chloropyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-amino-3-chloropyrazine-2-carboxylic acid
PubChem CID91873832
Molecular FormulaC5H4ClN3O2
Molecular Weight173.56 g/mol
Exact Mass173.00
IUPAC Name6-amino-3-chloropyrazine-2-carboxylic acid
SMILESNc1cnc(Cl)c(C(=O)O)n1
InChIInChI=1S/C5H4ClN3O2/c6-4-3(5(10)11)9-2(7)1-8-4/h1H,(H2,7,9)(H,10,11)
InChIKeyDCQHHVZMPFEQPB-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 6-amino-3-chloropyrazine-2-carboxylic acid?
The IUPAC name of 6-amino-3-chloropyrazine-2-carboxylic acid (CID 91873832) is 6-amino-3-chloropyrazine-2-carboxylic acid.
What is the SMILES notation for 6-amino-3-chloropyrazine-2-carboxylic acid?
The canonical SMILES for 6-amino-3-chloropyrazine-2-carboxylic acid is Nc1cnc(Cl)c(C(=O)O)n1.
What is the InChIKey of 6-amino-3-chloropyrazine-2-carboxylic acid?
The InChIKey is DCQHHVZMPFEQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClN3O2/c6-4-3(5(10)11)9-2(7)1-8-4/h1H,(H2,7,9)(H,10,11).
What are the key properties of 6-amino-3-chloropyrazine-2-carboxylic acid?
6-amino-3-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 6-amino-3-chloropyrazine-2-carboxylic acid is sourced from PubChem (CID 91873832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).