4-(5-fluoro-2-pyridinyl)piperazine-1,2-dicarboxylic acid

C11H12FN3O4 — CID 174202611

IUPAC4-(5-fluoro-2-pyridinyl)piperazine-1,2-dicarboxylic acid
SMILESO=C(O)C1CN(c2ccc(F)cn2)CCN1C(=O)O
InChIInChI=1S/C11H12FN3O4/c12-7-1-2-9(13-5-7)14-3-4-15(11(18)19)8(6-14)10(16)17/h1-2,5,8H,3-4,6H2,(H,16,17)(H,18,19)
InChIKeyVISCVNNAINSBEQ-UHFFFAOYSA-N
MW269.23 g/mol
LogP0.47
Rot. Bonds2

About 4-(5-fluoro-2-pyridinyl)piperazine-1,2-dicarboxylic acid

4-(5-fluoro-2-pyridinyl)piperazine-1,2-dicarboxylic acid (PubChem CID 174202611) has the molecular formula C11H12FN3O4 and a molecular weight of 269.23 g/mol. Its IUPAC name is 4-(5-fluoro-2-pyridinyl)piperazine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name4-(5-fluoro-2-pyridinyl)piperazine-1,2-dicarboxylic acid
PubChem CID174202611
Molecular FormulaC11H12FN3O4
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC Name4-(5-fluoro-2-pyridinyl)piperazine-1,2-dicarboxylic acid
SMILESO=C(O)C1CN(c2ccc(F)cn2)CCN1C(=O)O
InChIInChI=1S/C11H12FN3O4/c12-7-1-2-9(13-5-7)14-3-4-15(11(18)19)8(6-14)10(16)17/h1-2,5,8H,3-4,6H2,(H,16,17)(H,18,19)
InChIKeyVISCVNNAINSBEQ-UHFFFAOYSA-N
XLogP0.47
TPSA93.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-pyridinyl)piperazine-1,2-dicarboxylic acid?
The IUPAC name of 4-(5-fluoro-2-pyridinyl)piperazine-1,2-dicarboxylic acid (CID 174202611) is 4-(5-fluoro-2-pyridinyl)piperazine-1,2-dicarboxylic acid.
What is the SMILES notation for 4-(5-fluoro-2-pyridinyl)piperazine-1,2-dicarboxylic acid?
The canonical SMILES for 4-(5-fluoro-2-pyridinyl)piperazine-1,2-dicarboxylic acid is O=C(O)C1CN(c2ccc(F)cn2)CCN1C(=O)O.
What is the InChIKey of 4-(5-fluoro-2-pyridinyl)piperazine-1,2-dicarboxylic acid?
The InChIKey is VISCVNNAINSBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O4/c12-7-1-2-9(13-5-7)14-3-4-15(11(18)19)8(6-14)10(16)17/h1-2,5,8H,3-4,6H2,(H,16,17)(H,18,19).
What are the key properties of 4-(5-fluoro-2-pyridinyl)piperazine-1,2-dicarboxylic acid?
4-(5-fluoro-2-pyridinyl)piperazine-1,2-dicarboxylic acid has a molecular weight of 269.23 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-pyridinyl)piperazine-1,2-dicarboxylic acid is sourced from PubChem (CID 174202611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).