2-(2-fluorophenyl)sulfanylpyrimidine

C10H7FN2S — CID 91491747

IUPAC2-(2-fluorophenyl)sulfanylpyrimidine
SMILESFc1ccccc1Sc1ncccn1
InChIInChI=1S/C10H7FN2S/c11-8-4-1-2-5-9(8)14-10-12-6-3-7-13-10/h1-7H
InChIKeyQCDDDNPINUDTBN-UHFFFAOYSA-N
MW206.25 g/mol
LogP2.77
Rot. Bonds2

About 2-(2-fluorophenyl)sulfanylpyrimidine

2-(2-fluorophenyl)sulfanylpyrimidine (PubChem CID 91491747) has the molecular formula C10H7FN2S and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanylpyrimidine.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanylpyrimidine
PubChem CID91491747
Molecular FormulaC10H7FN2S
Molecular Weight206.25 g/mol
Exact Mass206.03
IUPAC Name2-(2-fluorophenyl)sulfanylpyrimidine
SMILESFc1ccccc1Sc1ncccn1
InChIInChI=1S/C10H7FN2S/c11-8-4-1-2-5-9(8)14-10-12-6-3-7-13-10/h1-7H
InChIKeyQCDDDNPINUDTBN-UHFFFAOYSA-N
XLogP2.77
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanylpyrimidine?
The IUPAC name of 2-(2-fluorophenyl)sulfanylpyrimidine (CID 91491747) is 2-(2-fluorophenyl)sulfanylpyrimidine.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanylpyrimidine?
The canonical SMILES for 2-(2-fluorophenyl)sulfanylpyrimidine is Fc1ccccc1Sc1ncccn1.
What is the InChIKey of 2-(2-fluorophenyl)sulfanylpyrimidine?
The InChIKey is QCDDDNPINUDTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2S/c11-8-4-1-2-5-9(8)14-10-12-6-3-7-13-10/h1-7H.
What are the key properties of 2-(2-fluorophenyl)sulfanylpyrimidine?
2-(2-fluorophenyl)sulfanylpyrimidine has a molecular weight of 206.25 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfanylpyrimidine is sourced from PubChem (CID 91491747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).