3-(4-bromopyrimidin-2-yl)-4-fluoropiperidine-4-carboxylic acid

C10H11BrFN3O2 — CID 87223835

IUPAC3-(4-bromopyrimidin-2-yl)-4-fluoropiperidine-4-carboxylic acid
SMILESO=C(O)C1(F)CCNCC1c1nccc(Br)n1
InChIInChI=1S/C10H11BrFN3O2/c11-7-1-3-14-8(15-7)6-5-13-4-2-10(6,12)9(16)17/h1,3,6,13H,2,4-5H2,(H,16,17)
InChIKeyYUODGQVUGGVMQX-UHFFFAOYSA-N
MW304.12 g/mol
LogP1.11
Rot. Bonds2

About 3-(4-bromopyrimidin-2-yl)-4-fluoropiperidine-4-carboxylic acid

3-(4-bromopyrimidin-2-yl)-4-fluoropiperidine-4-carboxylic acid (PubChem CID 87223835) has the molecular formula C10H11BrFN3O2 and a molecular weight of 304.12 g/mol. Its IUPAC name is 3-(4-bromopyrimidin-2-yl)-4-fluoropiperidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-bromopyrimidin-2-yl)-4-fluoropiperidine-4-carboxylic acid
PubChem CID87223835
Molecular FormulaC10H11BrFN3O2
Molecular Weight304.12 g/mol
Exact Mass303.00
IUPAC Name3-(4-bromopyrimidin-2-yl)-4-fluoropiperidine-4-carboxylic acid
SMILESO=C(O)C1(F)CCNCC1c1nccc(Br)n1
InChIInChI=1S/C10H11BrFN3O2/c11-7-1-3-14-8(15-7)6-5-13-4-2-10(6,12)9(16)17/h1,3,6,13H,2,4-5H2,(H,16,17)
InChIKeyYUODGQVUGGVMQX-UHFFFAOYSA-N
XLogP1.11
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.12
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromopyrimidin-2-yl)-4-fluoropiperidine-4-carboxylic acid?
The IUPAC name of 3-(4-bromopyrimidin-2-yl)-4-fluoropiperidine-4-carboxylic acid (CID 87223835) is 3-(4-bromopyrimidin-2-yl)-4-fluoropiperidine-4-carboxylic acid.
What is the SMILES notation for 3-(4-bromopyrimidin-2-yl)-4-fluoropiperidine-4-carboxylic acid?
The canonical SMILES for 3-(4-bromopyrimidin-2-yl)-4-fluoropiperidine-4-carboxylic acid is O=C(O)C1(F)CCNCC1c1nccc(Br)n1.
What is the InChIKey of 3-(4-bromopyrimidin-2-yl)-4-fluoropiperidine-4-carboxylic acid?
The InChIKey is YUODGQVUGGVMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN3O2/c11-7-1-3-14-8(15-7)6-5-13-4-2-10(6,12)9(16)17/h1,3,6,13H,2,4-5H2,(H,16,17).
What are the key properties of 3-(4-bromopyrimidin-2-yl)-4-fluoropiperidine-4-carboxylic acid?
3-(4-bromopyrimidin-2-yl)-4-fluoropiperidine-4-carboxylic acid has a molecular weight of 304.12 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromopyrimidin-2-yl)-4-fluoropiperidine-4-carboxylic acid is sourced from PubChem (CID 87223835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).