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

C12H7BrFN3O3 — CID 107949162

IUPAC3-[(3-bromo-4-fluorobenzoyl)amino]pyrazine-2-carboxylic acid
SMILESO=C(Nc1nccnc1C(=O)O)c1ccc(F)c(Br)c1
InChIInChI=1S/C12H7BrFN3O3/c13-7-5-6(1-2-8(7)14)11(18)17-10-9(12(19)20)15-3-4-16-10/h1-5H,(H,19,20)(H,16,17,18)
InChIKeyAUMDCCMJXFQFIX-UHFFFAOYSA-N
MW340.11 g/mol
LogP2.33
Rot. Bonds3

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

3-[(3-bromo-4-fluorobenzoyl)amino]pyrazine-2-carboxylic acid (PubChem CID 107949162) has the molecular formula C12H7BrFN3O3 and a molecular weight of 340.11 g/mol. Its IUPAC name is 3-[(3-bromo-4-fluorobenzoyl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3-bromo-4-fluorobenzoyl)amino]pyrazine-2-carboxylic acid
PubChem CID107949162
Molecular FormulaC12H7BrFN3O3
Molecular Weight340.11 g/mol
Exact Mass338.97
IUPAC Name3-[(3-bromo-4-fluorobenzoyl)amino]pyrazine-2-carboxylic acid
SMILESO=C(Nc1nccnc1C(=O)O)c1ccc(F)c(Br)c1
InChIInChI=1S/C12H7BrFN3O3/c13-7-5-6(1-2-8(7)14)11(18)17-10-9(12(19)20)15-3-4-16-10/h1-5H,(H,19,20)(H,16,17,18)
InChIKeyAUMDCCMJXFQFIX-UHFFFAOYSA-N
XLogP2.33
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.11
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-bromo-4-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 107949182
3-[(3,4,5-trifluorobenzoyl)amino]pyrazine-2-carboxylic acid
CID 63262348
3-[(3,4-dihydroxybenzoyl)amino]pyrazine-2-carboxylic acid
CID 136904575
3-[(3-bromo-5-fluorobenzoyl)amino]pyrazine-2-carboxylic acid
CID 63262243
3-bromo-N-(4-chloro-2-pyridinyl)-4-fluorobenzamide
CID 103707248
3-(2H-benzotriazole-5-carbonylamino)pyrazine-2-carboxylic acid
CID 63262203
3-bromo-N-(3,5-dibromopyrazin-2-yl)-4-fluorobenzamide
CID 114074325
3-[(3-bromopyridine-2-carbonyl)amino]pyrazine-2-carboxylic acid
CID 107517103
2-[(4-bromo-3-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 63653566
3-[(5-bromopyridine-2-carbonyl)amino]pyrazine-2-carboxylic acid
CID 63262373
3-[(4-propan-2-ylbenzoyl)amino]pyrazine-2-carboxylic acid
CID 63262062
3-[(4-ethylbenzoyl)amino]pyrazine-2-carboxylic acid
CID 63262061

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-4-fluorobenzoyl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(3-bromo-4-fluorobenzoyl)amino]pyrazine-2-carboxylic acid (CID 107949162) is 3-[(3-bromo-4-fluorobenzoyl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(3-bromo-4-fluorobenzoyl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(3-bromo-4-fluorobenzoyl)amino]pyrazine-2-carboxylic acid is O=C(Nc1nccnc1C(=O)O)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-[(3-bromo-4-fluorobenzoyl)amino]pyrazine-2-carboxylic acid?
The InChIKey is AUMDCCMJXFQFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrFN3O3/c13-7-5-6(1-2-8(7)14)11(18)17-10-9(12(19)20)15-3-4-16-10/h1-5H,(H,19,20)(H,16,17,18).
What are the key properties of 3-[(3-bromo-4-fluorobenzoyl)amino]pyrazine-2-carboxylic acid?
3-[(3-bromo-4-fluorobenzoyl)amino]pyrazine-2-carboxylic acid has a molecular weight of 340.11 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-4-fluorobenzoyl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 107949162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).