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

C10H11F2N3O2 — CID 142475968

IUPAC4-fluoro-1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1(F)CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C10H11F2N3O2/c11-7-5-13-9(14-6-7)15-3-1-10(12,2-4-15)8(16)17/h5-6H,1-4H2,(H,16,17)
InChIKeyMYUIKDWNBIFROG-UHFFFAOYSA-N
MW243.21 g/mol
LogP1.01
Rot. Bonds2

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

4-fluoro-1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylic acid (PubChem CID 142475968) has the molecular formula C10H11F2N3O2 and a molecular weight of 243.21 g/mol. Its IUPAC name is 4-fluoro-1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylic acid
PubChem CID142475968
Molecular FormulaC10H11F2N3O2
Molecular Weight243.21 g/mol
Exact Mass243.08
IUPAC Name4-fluoro-1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1(F)CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C10H11F2N3O2/c11-7-5-13-9(14-6-7)15-3-1-10(12,2-4-15)8(16)17/h5-6H,1-4H2,(H,16,17)
InChIKeyMYUIKDWNBIFROG-UHFFFAOYSA-N
XLogP1.01
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylic acid?
The IUPAC name of 4-fluoro-1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylic acid (CID 142475968) is 4-fluoro-1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-fluoro-1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-fluoro-1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylic acid is O=C(O)C1(F)CCN(c2ncc(F)cn2)CC1.
What is the InChIKey of 4-fluoro-1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylic acid?
The InChIKey is MYUIKDWNBIFROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3O2/c11-7-5-13-9(14-6-7)15-3-1-10(12,2-4-15)8(16)17/h5-6H,1-4H2,(H,16,17).
What are the key properties of 4-fluoro-1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylic acid?
4-fluoro-1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylic acid has a molecular weight of 243.21 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 142475968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).