4-(5-bromo-3-fluoro-2-pyridinyl)piperazine-1-carboxylic acid

C10H11BrFN3O2 — CID 123631313

IUPAC4-(5-bromo-3-fluoro-2-pyridinyl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2ncc(Br)cc2F)CC1
InChIInChI=1S/C10H11BrFN3O2/c11-7-5-8(12)9(13-6-7)14-1-3-15(4-2-14)10(16)17/h5-6H,1-4H2,(H,16,17)
InChIKeyLZXUKSMLTMZCCF-UHFFFAOYSA-N
MW304.12 g/mol
LogP1.78
Rot. Bonds1

About 4-(5-bromo-3-fluoro-2-pyridinyl)piperazine-1-carboxylic acid

4-(5-bromo-3-fluoro-2-pyridinyl)piperazine-1-carboxylic acid (PubChem CID 123631313) has the molecular formula C10H11BrFN3O2 and a molecular weight of 304.12 g/mol. Its IUPAC name is 4-(5-bromo-3-fluoro-2-pyridinyl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(5-bromo-3-fluoro-2-pyridinyl)piperazine-1-carboxylic acid
PubChem CID123631313
Molecular FormulaC10H11BrFN3O2
Molecular Weight304.12 g/mol
Exact Mass303.00
IUPAC Name4-(5-bromo-3-fluoro-2-pyridinyl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2ncc(Br)cc2F)CC1
InChIInChI=1S/C10H11BrFN3O2/c11-7-5-8(12)9(13-6-7)14-1-3-15(4-2-14)10(16)17/h5-6H,1-4H2,(H,16,17)
InChIKeyLZXUKSMLTMZCCF-UHFFFAOYSA-N
XLogP1.78
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.12
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-3-fluoro-2-pyridinyl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(5-bromo-3-fluoro-2-pyridinyl)piperazine-1-carboxylic acid (CID 123631313) is 4-(5-bromo-3-fluoro-2-pyridinyl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(5-bromo-3-fluoro-2-pyridinyl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(5-bromo-3-fluoro-2-pyridinyl)piperazine-1-carboxylic acid is O=C(O)N1CCN(c2ncc(Br)cc2F)CC1.
What is the InChIKey of 4-(5-bromo-3-fluoro-2-pyridinyl)piperazine-1-carboxylic acid?
The InChIKey is LZXUKSMLTMZCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN3O2/c11-7-5-8(12)9(13-6-7)14-1-3-15(4-2-14)10(16)17/h5-6H,1-4H2,(H,16,17).
What are the key properties of 4-(5-bromo-3-fluoro-2-pyridinyl)piperazine-1-carboxylic acid?
4-(5-bromo-3-fluoro-2-pyridinyl)piperazine-1-carboxylic acid has a molecular weight of 304.12 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-3-fluoro-2-pyridinyl)piperazine-1-carboxylic acid is sourced from PubChem (CID 123631313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).