2-chloro-5-fluoro-4-piperidin-4-ylpyrimidine

C9H11ClFN3 — CID 170985227

IUPAC2-chloro-5-fluoro-4-piperidin-4-ylpyrimidine
SMILESFc1cnc(Cl)nc1C1CCNCC1
InChIInChI=1S/C9H11ClFN3/c10-9-13-5-7(11)8(14-9)6-1-3-12-4-2-6/h5-6,12H,1-4H2
InChIKeyIIMZJLHYEXXMJU-UHFFFAOYSA-N
MW215.66 g/mol
LogP1.74
Rot. Bonds1

About 2-chloro-5-fluoro-4-piperidin-4-ylpyrimidine

2-chloro-5-fluoro-4-piperidin-4-ylpyrimidine (PubChem CID 170985227) has the molecular formula C9H11ClFN3 and a molecular weight of 215.66 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-piperidin-4-ylpyrimidine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-piperidin-4-ylpyrimidine
PubChem CID170985227
Molecular FormulaC9H11ClFN3
Molecular Weight215.66 g/mol
Exact Mass215.06
IUPAC Name2-chloro-5-fluoro-4-piperidin-4-ylpyrimidine
SMILESFc1cnc(Cl)nc1C1CCNCC1
InChIInChI=1S/C9H11ClFN3/c10-9-13-5-7(11)8(14-9)6-1-3-12-4-2-6/h5-6,12H,1-4H2
InChIKeyIIMZJLHYEXXMJU-UHFFFAOYSA-N
XLogP1.74
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-piperidin-4-ylpyrimidine?
The IUPAC name of 2-chloro-5-fluoro-4-piperidin-4-ylpyrimidine (CID 170985227) is 2-chloro-5-fluoro-4-piperidin-4-ylpyrimidine.
What is the SMILES notation for 2-chloro-5-fluoro-4-piperidin-4-ylpyrimidine?
The canonical SMILES for 2-chloro-5-fluoro-4-piperidin-4-ylpyrimidine is Fc1cnc(Cl)nc1C1CCNCC1.
What is the InChIKey of 2-chloro-5-fluoro-4-piperidin-4-ylpyrimidine?
The InChIKey is IIMZJLHYEXXMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFN3/c10-9-13-5-7(11)8(14-9)6-1-3-12-4-2-6/h5-6,12H,1-4H2.
What are the key properties of 2-chloro-5-fluoro-4-piperidin-4-ylpyrimidine?
2-chloro-5-fluoro-4-piperidin-4-ylpyrimidine has a molecular weight of 215.66 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-piperidin-4-ylpyrimidine is sourced from PubChem (CID 170985227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).