2-chloro-4-ethyl-5-fluoro-6-pyridin-2-ylsulfanylpyrimidine

C11H9ClFN3S — CID 142732389

IUPAC2-chloro-4-ethyl-5-fluoro-6-pyridin-2-ylsulfanylpyrimidine
SMILESCCc1nc(Cl)nc(Sc2ccccn2)c1F
InChIInChI=1S/C11H9ClFN3S/c1-2-7-9(13)10(16-11(12)15-7)17-8-5-3-4-6-14-8/h3-6H,2H2,1H3
InChIKeyQFVKFDXAVAWDRO-UHFFFAOYSA-N
MW269.73 g/mol
LogP3.38
Rot. Bonds3

About 2-chloro-4-ethyl-5-fluoro-6-pyridin-2-ylsulfanylpyrimidine

2-chloro-4-ethyl-5-fluoro-6-pyridin-2-ylsulfanylpyrimidine (PubChem CID 142732389) has the molecular formula C11H9ClFN3S and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-chloro-4-ethyl-5-fluoro-6-pyridin-2-ylsulfanylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-ethyl-5-fluoro-6-pyridin-2-ylsulfanylpyrimidine
PubChem CID142732389
Molecular FormulaC11H9ClFN3S
Molecular Weight269.73 g/mol
Exact Mass269.02
IUPAC Name2-chloro-4-ethyl-5-fluoro-6-pyridin-2-ylsulfanylpyrimidine
SMILESCCc1nc(Cl)nc(Sc2ccccn2)c1F
InChIInChI=1S/C11H9ClFN3S/c1-2-7-9(13)10(16-11(12)15-7)17-8-5-3-4-6-14-8/h3-6H,2H2,1H3
InChIKeyQFVKFDXAVAWDRO-UHFFFAOYSA-N
XLogP3.38
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethyl-5-fluoro-6-pyridin-2-ylsulfanylpyrimidine?
The IUPAC name of 2-chloro-4-ethyl-5-fluoro-6-pyridin-2-ylsulfanylpyrimidine (CID 142732389) is 2-chloro-4-ethyl-5-fluoro-6-pyridin-2-ylsulfanylpyrimidine.
What is the SMILES notation for 2-chloro-4-ethyl-5-fluoro-6-pyridin-2-ylsulfanylpyrimidine?
The canonical SMILES for 2-chloro-4-ethyl-5-fluoro-6-pyridin-2-ylsulfanylpyrimidine is CCc1nc(Cl)nc(Sc2ccccn2)c1F.
What is the InChIKey of 2-chloro-4-ethyl-5-fluoro-6-pyridin-2-ylsulfanylpyrimidine?
The InChIKey is QFVKFDXAVAWDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3S/c1-2-7-9(13)10(16-11(12)15-7)17-8-5-3-4-6-14-8/h3-6H,2H2,1H3.
What are the key properties of 2-chloro-4-ethyl-5-fluoro-6-pyridin-2-ylsulfanylpyrimidine?
2-chloro-4-ethyl-5-fluoro-6-pyridin-2-ylsulfanylpyrimidine has a molecular weight of 269.73 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethyl-5-fluoro-6-pyridin-2-ylsulfanylpyrimidine is sourced from PubChem (CID 142732389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).