2-chloro-5-fluoro-4-(2-fluorophenyl)sulfanylpyrimidine

C10H5ClF2N2S — CID 79075915

IUPAC2-chloro-5-fluoro-4-(2-fluorophenyl)sulfanylpyrimidine
SMILESFc1ccccc1Sc1nc(Cl)ncc1F
InChIInChI=1S/C10H5ClF2N2S/c11-10-14-5-7(13)9(15-10)16-8-4-2-1-3-6(8)12/h1-5H
InChIKeyDVMVDBRYXNMUSI-UHFFFAOYSA-N
MW258.68 g/mol
LogP3.56
Rot. Bonds2

About 2-chloro-5-fluoro-4-(2-fluorophenyl)sulfanylpyrimidine

2-chloro-5-fluoro-4-(2-fluorophenyl)sulfanylpyrimidine (PubChem CID 79075915) has the molecular formula C10H5ClF2N2S and a molecular weight of 258.68 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-(2-fluorophenyl)sulfanylpyrimidine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-(2-fluorophenyl)sulfanylpyrimidine
PubChem CID79075915
Molecular FormulaC10H5ClF2N2S
Molecular Weight258.68 g/mol
Exact Mass257.98
IUPAC Name2-chloro-5-fluoro-4-(2-fluorophenyl)sulfanylpyrimidine
SMILESFc1ccccc1Sc1nc(Cl)ncc1F
InChIInChI=1S/C10H5ClF2N2S/c11-10-14-5-7(13)9(15-10)16-8-4-2-1-3-6(8)12/h1-5H
InChIKeyDVMVDBRYXNMUSI-UHFFFAOYSA-N
XLogP3.56
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.68
LogP ≤ 53.56
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-(2-fluorophenyl)sulfanylpyrimidine?
The IUPAC name of 2-chloro-5-fluoro-4-(2-fluorophenyl)sulfanylpyrimidine (CID 79075915) is 2-chloro-5-fluoro-4-(2-fluorophenyl)sulfanylpyrimidine.
What is the SMILES notation for 2-chloro-5-fluoro-4-(2-fluorophenyl)sulfanylpyrimidine?
The canonical SMILES for 2-chloro-5-fluoro-4-(2-fluorophenyl)sulfanylpyrimidine is Fc1ccccc1Sc1nc(Cl)ncc1F.
What is the InChIKey of 2-chloro-5-fluoro-4-(2-fluorophenyl)sulfanylpyrimidine?
The InChIKey is DVMVDBRYXNMUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF2N2S/c11-10-14-5-7(13)9(15-10)16-8-4-2-1-3-6(8)12/h1-5H.
What are the key properties of 2-chloro-5-fluoro-4-(2-fluorophenyl)sulfanylpyrimidine?
2-chloro-5-fluoro-4-(2-fluorophenyl)sulfanylpyrimidine has a molecular weight of 258.68 g/mol, XLogP of 3.56, 2 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-(2-fluorophenyl)sulfanylpyrimidine is sourced from PubChem (CID 79075915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).