3-[(4-chlorobenzoyl)amino]pyrazine-2-carboxylic acid

C12H8ClN3O3 — CID 677030

IUPAC3-[(4-chlorobenzoyl)amino]pyrazine-2-carboxylic acid
SMILESO=C(Nc1nccnc1C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C12H8ClN3O3/c13-8-3-1-7(2-4-8)11(17)16-10-9(12(18)19)14-5-6-15-10/h1-6H,(H,18,19)(H,15,16,17)
InChIKeyMIGKVCZDGYFEPA-UHFFFAOYSA-N
MW277.67 g/mol
LogP2.08
Rot. Bonds3

About 3-[(4-chlorobenzoyl)amino]pyrazine-2-carboxylic acid

3-[(4-chlorobenzoyl)amino]pyrazine-2-carboxylic acid (PubChem CID 677030) has the molecular formula C12H8ClN3O3 and a molecular weight of 277.67 g/mol. Its IUPAC name is 3-[(4-chlorobenzoyl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-chlorobenzoyl)amino]pyrazine-2-carboxylic acid
PubChem CID677030
Molecular FormulaC12H8ClN3O3
Molecular Weight277.67 g/mol
Exact Mass277.03
IUPAC Name3-[(4-chlorobenzoyl)amino]pyrazine-2-carboxylic acid
SMILESO=C(Nc1nccnc1C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C12H8ClN3O3/c13-8-3-1-7(2-4-8)11(17)16-10-9(12(18)19)14-5-6-15-10/h1-6H,(H,18,19)(H,15,16,17)
InChIKeyMIGKVCZDGYFEPA-UHFFFAOYSA-N
XLogP2.08
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.67
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorobenzoyl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(4-chlorobenzoyl)amino]pyrazine-2-carboxylic acid (CID 677030) is 3-[(4-chlorobenzoyl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(4-chlorobenzoyl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(4-chlorobenzoyl)amino]pyrazine-2-carboxylic acid is O=C(Nc1nccnc1C(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorobenzoyl)amino]pyrazine-2-carboxylic acid?
The InChIKey is MIGKVCZDGYFEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O3/c13-8-3-1-7(2-4-8)11(17)16-10-9(12(18)19)14-5-6-15-10/h1-6H,(H,18,19)(H,15,16,17).
What are the key properties of 3-[(4-chlorobenzoyl)amino]pyrazine-2-carboxylic acid?
3-[(4-chlorobenzoyl)amino]pyrazine-2-carboxylic acid has a molecular weight of 277.67 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorobenzoyl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 677030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).