3-[(5-chloro-2-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid

C11H7ClN4O3 — CID 3280818

IUPAC3-[(5-chloro-2-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C11H7ClN4O3/c12-6-1-2-7(15-5-6)16-10(17)8-9(11(18)19)14-4-3-13-8/h1-5H,(H,18,19)(H,15,16,17)
InChIKeyIFJKAXKRMIJQHS-UHFFFAOYSA-N
MW278.66 g/mol
LogP1.48
Rot. Bonds3

About 3-[(5-chloro-2-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid

3-[(5-chloro-2-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 3280818) has the molecular formula C11H7ClN4O3 and a molecular weight of 278.66 g/mol. Its IUPAC name is 3-[(5-chloro-2-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(5-chloro-2-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid
PubChem CID3280818
Molecular FormulaC11H7ClN4O3
Molecular Weight278.66 g/mol
Exact Mass278.02
IUPAC Name3-[(5-chloro-2-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C11H7ClN4O3/c12-6-1-2-7(15-5-6)16-10(17)8-9(11(18)19)14-4-3-13-8/h1-5H,(H,18,19)(H,15,16,17)
InChIKeyIFJKAXKRMIJQHS-UHFFFAOYSA-N
XLogP1.48
TPSA105.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.66
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(5-chloro-2-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid (CID 3280818) is 3-[(5-chloro-2-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(5-chloro-2-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(5-chloro-2-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid is O=C(O)c1nccnc1C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of 3-[(5-chloro-2-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is IFJKAXKRMIJQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4O3/c12-6-1-2-7(15-5-6)16-10(17)8-9(11(18)19)14-4-3-13-8/h1-5H,(H,18,19)(H,15,16,17).
What are the key properties of 3-[(5-chloro-2-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid?
3-[(5-chloro-2-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 278.66 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 3280818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).