1-(5-fluoropyridine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid

C11H10FN3O4 — CID 107432811

IUPAC1-(5-fluoropyridine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
SMILESO=C1CN(C(=O)c2cncc(F)c2)C(C(=O)O)CN1
InChIInChI=1S/C11H10FN3O4/c12-7-1-6(2-13-3-7)10(17)15-5-9(16)14-4-8(15)11(18)19/h1-3,8H,4-5H2,(H,14,16)(H,18,19)
InChIKeyWCYBUNHPHGGUOO-UHFFFAOYSA-N
MW267.22 g/mol
LogP-0.75
Rot. Bonds2

About 1-(5-fluoropyridine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid

1-(5-fluoropyridine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid (PubChem CID 107432811) has the molecular formula C11H10FN3O4 and a molecular weight of 267.22 g/mol. Its IUPAC name is 1-(5-fluoropyridine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-(5-fluoropyridine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
PubChem CID107432811
Molecular FormulaC11H10FN3O4
Molecular Weight267.22 g/mol
Exact Mass267.07
IUPAC Name1-(5-fluoropyridine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
SMILESO=C1CN(C(=O)c2cncc(F)c2)C(C(=O)O)CN1
InChIInChI=1S/C11H10FN3O4/c12-7-1-6(2-13-3-7)10(17)15-5-9(16)14-4-8(15)11(18)19/h1-3,8H,4-5H2,(H,14,16)(H,18,19)
InChIKeyWCYBUNHPHGGUOO-UHFFFAOYSA-N
XLogP-0.75
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.22
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-hydroxypyridine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107433430
5-oxo-1-(pyridazine-4-carbonyl)piperazine-2-carboxylic acid
CID 107433192
1-benzoyl-5-oxopiperazine-2-carboxylic acid
CID 107432787
3-(5-fluoropyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 104785479
1-(2,5-difluorobenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107432918
5-oxo-1-(2H-triazole-4-carbonyl)piperazine-2-carboxylic acid
CID 107433380
1-(3-hydroxy-4-methylbenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107432869
1-(4-bromo-3-methylbenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107433045
1-(5-methyl-1,2-oxazole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107432931
1-(5-nitrothiophene-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107432774
1-(cyclopropanecarbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107432929
1-(3,6-dichloropyridazine-4-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107433030

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoropyridine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid?
The IUPAC name of 1-(5-fluoropyridine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid (CID 107432811) is 1-(5-fluoropyridine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid.
What is the SMILES notation for 1-(5-fluoropyridine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid?
The canonical SMILES for 1-(5-fluoropyridine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid is O=C1CN(C(=O)c2cncc(F)c2)C(C(=O)O)CN1.
What is the InChIKey of 1-(5-fluoropyridine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid?
The InChIKey is WCYBUNHPHGGUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O4/c12-7-1-6(2-13-3-7)10(17)15-5-9(16)14-4-8(15)11(18)19/h1-3,8H,4-5H2,(H,14,16)(H,18,19).
What are the key properties of 1-(5-fluoropyridine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid?
1-(5-fluoropyridine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid has a molecular weight of 267.22 g/mol, XLogP of -0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoropyridine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid is sourced from PubChem (CID 107432811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).