(5-bromopyrimidin-2-yl) 4-fluoropiperidine-4-carboxylate

C10H11BrFN3O2 — CID 66981271

IUPAC(5-bromopyrimidin-2-yl) 4-fluoropiperidine-4-carboxylate
SMILESO=C(Oc1ncc(Br)cn1)C1(F)CCNCC1
InChIInChI=1S/C10H11BrFN3O2/c11-7-5-14-9(15-6-7)17-8(16)10(12)1-3-13-4-2-10/h5-6,13H,1-4H2
InChIKeyCHBNORGAURGFGR-UHFFFAOYSA-N
MW304.12 g/mol
LogP1.24
Rot. Bonds2

About (5-bromopyrimidin-2-yl) 4-fluoropiperidine-4-carboxylate

(5-bromopyrimidin-2-yl) 4-fluoropiperidine-4-carboxylate (PubChem CID 66981271) has the molecular formula C10H11BrFN3O2 and a molecular weight of 304.12 g/mol. Its IUPAC name is (5-bromopyrimidin-2-yl) 4-fluoropiperidine-4-carboxylate.

Molecular Properties

Compound Name(5-bromopyrimidin-2-yl) 4-fluoropiperidine-4-carboxylate
PubChem CID66981271
Molecular FormulaC10H11BrFN3O2
Molecular Weight304.12 g/mol
Exact Mass303.00
IUPAC Name(5-bromopyrimidin-2-yl) 4-fluoropiperidine-4-carboxylate
SMILESO=C(Oc1ncc(Br)cn1)C1(F)CCNCC1
InChIInChI=1S/C10H11BrFN3O2/c11-7-5-14-9(15-6-7)17-8(16)10(12)1-3-13-4-2-10/h5-6,13H,1-4H2
InChIKeyCHBNORGAURGFGR-UHFFFAOYSA-N
XLogP1.24
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.12
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5-bromopyrimidin-2-yl) 4-fluoropiperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-bromopyrimidin-2-yl) 4-fluoropiperidine-4-carboxylate?
The IUPAC name of (5-bromopyrimidin-2-yl) 4-fluoropiperidine-4-carboxylate (CID 66981271) is (5-bromopyrimidin-2-yl) 4-fluoropiperidine-4-carboxylate.
What is the SMILES notation for (5-bromopyrimidin-2-yl) 4-fluoropiperidine-4-carboxylate?
The canonical SMILES for (5-bromopyrimidin-2-yl) 4-fluoropiperidine-4-carboxylate is O=C(Oc1ncc(Br)cn1)C1(F)CCNCC1.
What is the InChIKey of (5-bromopyrimidin-2-yl) 4-fluoropiperidine-4-carboxylate?
The InChIKey is CHBNORGAURGFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN3O2/c11-7-5-14-9(15-6-7)17-8(16)10(12)1-3-13-4-2-10/h5-6,13H,1-4H2.
What are the key properties of (5-bromopyrimidin-2-yl) 4-fluoropiperidine-4-carboxylate?
(5-bromopyrimidin-2-yl) 4-fluoropiperidine-4-carboxylate has a molecular weight of 304.12 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromopyrimidin-2-yl) 4-fluoropiperidine-4-carboxylate is sourced from PubChem (CID 66981271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).