5-bromo-2-(2-fluorophenyl)sulfanylpyrimidine

C10H6BrFN2S — CID 55251390

IUPAC5-bromo-2-(2-fluorophenyl)sulfanylpyrimidine
SMILESFc1ccccc1Sc1ncc(Br)cn1
InChIInChI=1S/C10H6BrFN2S/c11-7-5-13-10(14-6-7)15-9-4-2-1-3-8(9)12/h1-6H
InChIKeyHGPVOHRHTIVVAB-UHFFFAOYSA-N
MW285.14 g/mol
LogP3.53
Rot. Bonds2

About 5-bromo-2-(2-fluorophenyl)sulfanylpyrimidine

5-bromo-2-(2-fluorophenyl)sulfanylpyrimidine (PubChem CID 55251390) has the molecular formula C10H6BrFN2S and a molecular weight of 285.14 g/mol. Its IUPAC name is 5-bromo-2-(2-fluorophenyl)sulfanylpyrimidine.

Molecular Properties

Compound Name5-bromo-2-(2-fluorophenyl)sulfanylpyrimidine
PubChem CID55251390
Molecular FormulaC10H6BrFN2S
Molecular Weight285.14 g/mol
Exact Mass283.94
IUPAC Name5-bromo-2-(2-fluorophenyl)sulfanylpyrimidine
SMILESFc1ccccc1Sc1ncc(Br)cn1
InChIInChI=1S/C10H6BrFN2S/c11-7-5-13-10(14-6-7)15-9-4-2-1-3-8(9)12/h1-6H
InChIKeyHGPVOHRHTIVVAB-UHFFFAOYSA-N
XLogP3.53
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-fluorophenyl)sulfanylpyrimidine?
The IUPAC name of 5-bromo-2-(2-fluorophenyl)sulfanylpyrimidine (CID 55251390) is 5-bromo-2-(2-fluorophenyl)sulfanylpyrimidine.
What is the SMILES notation for 5-bromo-2-(2-fluorophenyl)sulfanylpyrimidine?
The canonical SMILES for 5-bromo-2-(2-fluorophenyl)sulfanylpyrimidine is Fc1ccccc1Sc1ncc(Br)cn1.
What is the InChIKey of 5-bromo-2-(2-fluorophenyl)sulfanylpyrimidine?
The InChIKey is HGPVOHRHTIVVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrFN2S/c11-7-5-13-10(14-6-7)15-9-4-2-1-3-8(9)12/h1-6H.
What are the key properties of 5-bromo-2-(2-fluorophenyl)sulfanylpyrimidine?
5-bromo-2-(2-fluorophenyl)sulfanylpyrimidine has a molecular weight of 285.14 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-fluorophenyl)sulfanylpyrimidine is sourced from PubChem (CID 55251390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).