2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]acetic acid

C11H11F4N3O2 — CID 23441672

IUPAC2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(c2c(F)c(F)nc(F)c2F)CC1
InChIInChI=1S/C11H11F4N3O2/c12-7-9(8(13)11(15)16-10(7)14)18-3-1-17(2-4-18)5-6(19)20/h1-5H2,(H,19,20)
InChIKeyHXASONXBCISXQK-UHFFFAOYSA-N
MW293.22 g/mol
LogP0.84
Rot. Bonds3

About 2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]acetic acid

2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]acetic acid (PubChem CID 23441672) has the molecular formula C11H11F4N3O2 and a molecular weight of 293.22 g/mol. Its IUPAC name is 2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]acetic acid
PubChem CID23441672
Molecular FormulaC11H11F4N3O2
Molecular Weight293.22 g/mol
Exact Mass293.08
IUPAC Name2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(c2c(F)c(F)nc(F)c2F)CC1
InChIInChI=1S/C11H11F4N3O2/c12-7-9(8(13)11(15)16-10(7)14)18-3-1-17(2-4-18)5-6(19)20/h1-5H2,(H,19,20)
InChIKeyHXASONXBCISXQK-UHFFFAOYSA-N
XLogP0.84
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.22
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-phenyl-2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]acetamide
CID 133370977
1-(cyclopropylmethyl)-4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazine
CID 79905316
copper 2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid
CID 6398176
2-[4-[2-(5-cyano-2-phenylmethoxyphenoxy)-3,5,6-trifluoro-4-pyridinyl]piperazin-1-yl]acetic acid
CID 23441618
2-cyclohexyl-1-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]ethanone
CID 133372040
2-fluoro-N-[2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]ethyl]benzamide
CID 133372539
2-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]acetic acid
CID 4741827
2-[4,7-bis(carboxymethyl)-10-(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 56946868
2-[4-(6-fluoroquinolin-2-yl)piperazin-1-yl]acetic acid
CID 82166158
2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperazin-1-yl]acetic acid
CID 82167561
2-[13-amino-3,9-bis(carboxymethyl)-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-6-yl]acetic acid
CID 18517251
2,3,5,6-tetrafluoro-4-(4-methylpiperidin-1-yl)pyridine
CID 23366799

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]acetic acid (CID 23441672) is 2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]acetic acid is O=C(O)CN1CCN(c2c(F)c(F)nc(F)c2F)CC1.
What is the InChIKey of 2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]acetic acid?
The InChIKey is HXASONXBCISXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4N3O2/c12-7-9(8(13)11(15)16-10(7)14)18-3-1-17(2-4-18)5-6(19)20/h1-5H2,(H,19,20).
What are the key properties of 2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]acetic acid?
2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]acetic acid has a molecular weight of 293.22 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 23441672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).