3-fluoro-1-(5-fluoropyrimidin-2-yl)-4-hydroxypiperidine-4-carboxylic acid

C10H11F2N3O3 — CID 135382440

IUPAC3-fluoro-1-(5-fluoropyrimidin-2-yl)-4-hydroxypiperidine-4-carboxylic acid
SMILESO=C(O)C1(O)CCN(c2ncc(F)cn2)CC1F
InChIInChI=1S/C10H11F2N3O3/c11-6-3-13-9(14-4-6)15-2-1-10(18,8(16)17)7(12)5-15/h3-4,7,18H,1-2,5H2,(H,16,17)
InChIKeyBZEUKIMPFUWLMI-UHFFFAOYSA-N
MW259.21 g/mol
LogP-0.02
Rot. Bonds2

About 3-fluoro-1-(5-fluoropyrimidin-2-yl)-4-hydroxypiperidine-4-carboxylic acid

3-fluoro-1-(5-fluoropyrimidin-2-yl)-4-hydroxypiperidine-4-carboxylic acid (PubChem CID 135382440) has the molecular formula C10H11F2N3O3 and a molecular weight of 259.21 g/mol. Its IUPAC name is 3-fluoro-1-(5-fluoropyrimidin-2-yl)-4-hydroxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-1-(5-fluoropyrimidin-2-yl)-4-hydroxypiperidine-4-carboxylic acid
PubChem CID135382440
Molecular FormulaC10H11F2N3O3
Molecular Weight259.21 g/mol
Exact Mass259.08
IUPAC Name3-fluoro-1-(5-fluoropyrimidin-2-yl)-4-hydroxypiperidine-4-carboxylic acid
SMILESO=C(O)C1(O)CCN(c2ncc(F)cn2)CC1F
InChIInChI=1S/C10H11F2N3O3/c11-6-3-13-9(14-4-6)15-2-1-10(18,8(16)17)7(12)5-15/h3-4,7,18H,1-2,5H2,(H,16,17)
InChIKeyBZEUKIMPFUWLMI-UHFFFAOYSA-N
XLogP-0.02
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.21
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(Pyrimidin-2-yl)piperidine-4-carboxylic acid
CID 2767267
1-(5-Fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-hydroxypiperidine-4-carboxylic acid
CID 56872934
1-(5-Bromopyrimidin-2-yl)piperidine-4-carboxylic acid
CID 2761041
1-(5-Fluoropyrimidin-2-yl)-4-hydroxypiperidine-4-carboxylic acid
CID 56879120
2-[1-(5-Fluoropyrimidin-2-yl)piperidin-4-yl]acetic acid
CID 57962475
1-(5-Fluoropyrimidin-2-yl)piperidine-3-carboxylic acid
CID 60137804
1-(5-Fluoropyrimidin-2-yl)piperidine-4-carboxylic acid
CID 60137806
2-[1-(5-Fluoropyrimidin-2-yl)piperidin-4-yl]acetic acid;2,2,2-trifluoroacetic acid
CID 66881245
1-(5-Bromopyrimidin-2-yl)-4-fluoropiperidine-4-carboxylic acid
CID 66981272
1-(5-Fluoropyrimidin-2-yl)-4-methylpiperidine-4-carboxylic acid
CID 104605913
1-(5-Fluoro-2-pyrimidinyl)-2-methyl-4-piperidinecarboxylic acid
CID 106742541
Methyl 1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate
CID 112703074

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(5-fluoropyrimidin-2-yl)-4-hydroxypiperidine-4-carboxylic acid?
The IUPAC name of 3-fluoro-1-(5-fluoropyrimidin-2-yl)-4-hydroxypiperidine-4-carboxylic acid (CID 135382440) is 3-fluoro-1-(5-fluoropyrimidin-2-yl)-4-hydroxypiperidine-4-carboxylic acid.
What is the SMILES notation for 3-fluoro-1-(5-fluoropyrimidin-2-yl)-4-hydroxypiperidine-4-carboxylic acid?
The canonical SMILES for 3-fluoro-1-(5-fluoropyrimidin-2-yl)-4-hydroxypiperidine-4-carboxylic acid is O=C(O)C1(O)CCN(c2ncc(F)cn2)CC1F.
What is the InChIKey of 3-fluoro-1-(5-fluoropyrimidin-2-yl)-4-hydroxypiperidine-4-carboxylic acid?
The InChIKey is BZEUKIMPFUWLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3O3/c11-6-3-13-9(14-4-6)15-2-1-10(18,8(16)17)7(12)5-15/h3-4,7,18H,1-2,5H2,(H,16,17).
What are the key properties of 3-fluoro-1-(5-fluoropyrimidin-2-yl)-4-hydroxypiperidine-4-carboxylic acid?
3-fluoro-1-(5-fluoropyrimidin-2-yl)-4-hydroxypiperidine-4-carboxylic acid has a molecular weight of 259.21 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(5-fluoropyrimidin-2-yl)-4-hydroxypiperidine-4-carboxylic acid is sourced from PubChem (CID 135382440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).