3-[(3-bromopyridine-2-carbonyl)amino]pyrazine-2-carboxylic acid

C11H7BrN4O3 — CID 107517103

IUPAC3-[(3-bromopyridine-2-carbonyl)amino]pyrazine-2-carboxylic acid
SMILESO=C(Nc1nccnc1C(=O)O)c1ncccc1Br
InChIInChI=1S/C11H7BrN4O3/c12-6-2-1-3-13-7(6)10(17)16-9-8(11(18)19)14-4-5-15-9/h1-5H,(H,18,19)(H,15,16,17)
InChIKeyOVSVEEXOCSPEBW-UHFFFAOYSA-N
MW323.11 g/mol
LogP1.58
Rot. Bonds3

About 3-[(3-bromopyridine-2-carbonyl)amino]pyrazine-2-carboxylic acid

3-[(3-bromopyridine-2-carbonyl)amino]pyrazine-2-carboxylic acid (PubChem CID 107517103) has the molecular formula C11H7BrN4O3 and a molecular weight of 323.11 g/mol. Its IUPAC name is 3-[(3-bromopyridine-2-carbonyl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3-bromopyridine-2-carbonyl)amino]pyrazine-2-carboxylic acid
PubChem CID107517103
Molecular FormulaC11H7BrN4O3
Molecular Weight323.11 g/mol
Exact Mass321.97
IUPAC Name3-[(3-bromopyridine-2-carbonyl)amino]pyrazine-2-carboxylic acid
SMILESO=C(Nc1nccnc1C(=O)O)c1ncccc1Br
InChIInChI=1S/C11H7BrN4O3/c12-6-2-1-3-13-7(6)10(17)16-9-8(11(18)19)14-4-5-15-9/h1-5H,(H,18,19)(H,15,16,17)
InChIKeyOVSVEEXOCSPEBW-UHFFFAOYSA-N
XLogP1.58
TPSA105.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.11
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromopyridine-2-carbonyl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(3-bromopyridine-2-carbonyl)amino]pyrazine-2-carboxylic acid (CID 107517103) is 3-[(3-bromopyridine-2-carbonyl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(3-bromopyridine-2-carbonyl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(3-bromopyridine-2-carbonyl)amino]pyrazine-2-carboxylic acid is O=C(Nc1nccnc1C(=O)O)c1ncccc1Br.
What is the InChIKey of 3-[(3-bromopyridine-2-carbonyl)amino]pyrazine-2-carboxylic acid?
The InChIKey is OVSVEEXOCSPEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN4O3/c12-6-2-1-3-13-7(6)10(17)16-9-8(11(18)19)14-4-5-15-9/h1-5H,(H,18,19)(H,15,16,17).
What are the key properties of 3-[(3-bromopyridine-2-carbonyl)amino]pyrazine-2-carboxylic acid?
3-[(3-bromopyridine-2-carbonyl)amino]pyrazine-2-carboxylic acid has a molecular weight of 323.11 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromopyridine-2-carbonyl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 107517103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).