3-amino-5-chloro-6-methylpyrazine-2-carboxylic acid

C6H6ClN3O2 — CID 129321029

IUPAC3-amino-5-chloro-6-methylpyrazine-2-carboxylic acid
SMILESCc1nc(C(=O)O)c(N)nc1Cl
InChIInChI=1S/C6H6ClN3O2/c1-2-4(7)10-5(8)3(9-2)6(11)12/h1H3,(H2,8,10)(H,11,12)
InChIKeyRWBWHXQHNSNQIL-UHFFFAOYSA-N
MW187.59 g/mol
LogP0.72
Rot. Bonds1

About 3-amino-5-chloro-6-methylpyrazine-2-carboxylic acid

3-amino-5-chloro-6-methylpyrazine-2-carboxylic acid (PubChem CID 129321029) has the molecular formula C6H6ClN3O2 and a molecular weight of 187.59 g/mol. Its IUPAC name is 3-amino-5-chloro-6-methylpyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-chloro-6-methylpyrazine-2-carboxylic acid
PubChem CID129321029
Molecular FormulaC6H6ClN3O2
Molecular Weight187.59 g/mol
Exact Mass187.01
IUPAC Name3-amino-5-chloro-6-methylpyrazine-2-carboxylic acid
SMILESCc1nc(C(=O)O)c(N)nc1Cl
InChIInChI=1S/C6H6ClN3O2/c1-2-4(7)10-5(8)3(9-2)6(11)12/h1H3,(H2,8,10)(H,11,12)
InChIKeyRWBWHXQHNSNQIL-UHFFFAOYSA-N
XLogP0.72
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.59
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-6-methylpyrazine-2-carboxylic acid?
The IUPAC name of 3-amino-5-chloro-6-methylpyrazine-2-carboxylic acid (CID 129321029) is 3-amino-5-chloro-6-methylpyrazine-2-carboxylic acid.
What is the SMILES notation for 3-amino-5-chloro-6-methylpyrazine-2-carboxylic acid?
The canonical SMILES for 3-amino-5-chloro-6-methylpyrazine-2-carboxylic acid is Cc1nc(C(=O)O)c(N)nc1Cl.
What is the InChIKey of 3-amino-5-chloro-6-methylpyrazine-2-carboxylic acid?
The InChIKey is RWBWHXQHNSNQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN3O2/c1-2-4(7)10-5(8)3(9-2)6(11)12/h1H3,(H2,8,10)(H,11,12).
What are the key properties of 3-amino-5-chloro-6-methylpyrazine-2-carboxylic acid?
3-amino-5-chloro-6-methylpyrazine-2-carboxylic acid has a molecular weight of 187.59 g/mol, XLogP of 0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-6-methylpyrazine-2-carboxylic acid is sourced from PubChem (CID 129321029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).