2-chloro-5-fluoro-4-pyrrolidin-1-ylpyrimidine

C8H9ClFN3 — CID 16762742

IUPAC2-chloro-5-fluoro-4-pyrrolidin-1-ylpyrimidine
SMILESFc1cnc(Cl)nc1N1CCCC1
InChIInChI=1S/C8H9ClFN3/c9-8-11-5-6(10)7(12-8)13-3-1-2-4-13/h5H,1-4H2
InChIKeyBDJGBPUMVHZREY-UHFFFAOYSA-N
MW201.63 g/mol
LogP1.87
Rot. Bonds1

About 2-chloro-5-fluoro-4-pyrrolidin-1-ylpyrimidine

2-chloro-5-fluoro-4-pyrrolidin-1-ylpyrimidine (PubChem CID 16762742) has the molecular formula C8H9ClFN3 and a molecular weight of 201.63 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-pyrrolidin-1-ylpyrimidine
PubChem CID16762742
Molecular FormulaC8H9ClFN3
Molecular Weight201.63 g/mol
Exact Mass201.05
IUPAC Name2-chloro-5-fluoro-4-pyrrolidin-1-ylpyrimidine
SMILESFc1cnc(Cl)nc1N1CCCC1
InChIInChI=1S/C8H9ClFN3/c9-8-11-5-6(10)7(12-8)13-3-1-2-4-13/h5H,1-4H2
InChIKeyBDJGBPUMVHZREY-UHFFFAOYSA-N
XLogP1.87
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.63
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 2-chloro-5-fluoro-4-pyrrolidin-1-ylpyrimidine (CID 16762742) is 2-chloro-5-fluoro-4-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 2-chloro-5-fluoro-4-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 2-chloro-5-fluoro-4-pyrrolidin-1-ylpyrimidine is Fc1cnc(Cl)nc1N1CCCC1.
What is the InChIKey of 2-chloro-5-fluoro-4-pyrrolidin-1-ylpyrimidine?
The InChIKey is BDJGBPUMVHZREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFN3/c9-8-11-5-6(10)7(12-8)13-3-1-2-4-13/h5H,1-4H2.
What are the key properties of 2-chloro-5-fluoro-4-pyrrolidin-1-ylpyrimidine?
2-chloro-5-fluoro-4-pyrrolidin-1-ylpyrimidine has a molecular weight of 201.63 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 16762742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).