2-chloro-5-fluoro-4-naphthalen-2-ylsulfanylpyrimidine

C14H8ClFN2S — CID 79076313

IUPAC2-chloro-5-fluoro-4-naphthalen-2-ylsulfanylpyrimidine
SMILESFc1cnc(Cl)nc1Sc1ccc2ccccc2c1
InChIInChI=1S/C14H8ClFN2S/c15-14-17-8-12(16)13(18-14)19-11-6-5-9-3-1-2-4-10(9)7-11/h1-8H
InChIKeyHWGATXQHWDFKLF-UHFFFAOYSA-N
MW290.75 g/mol
LogP4.57
Rot. Bonds2

About 2-chloro-5-fluoro-4-naphthalen-2-ylsulfanylpyrimidine

2-chloro-5-fluoro-4-naphthalen-2-ylsulfanylpyrimidine (PubChem CID 79076313) has the molecular formula C14H8ClFN2S and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-naphthalen-2-ylsulfanylpyrimidine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-naphthalen-2-ylsulfanylpyrimidine
PubChem CID79076313
Molecular FormulaC14H8ClFN2S
Molecular Weight290.75 g/mol
Exact Mass290.01
IUPAC Name2-chloro-5-fluoro-4-naphthalen-2-ylsulfanylpyrimidine
SMILESFc1cnc(Cl)nc1Sc1ccc2ccccc2c1
InChIInChI=1S/C14H8ClFN2S/c15-14-17-8-12(16)13(18-14)19-11-6-5-9-3-1-2-4-10(9)7-11/h1-8H
InChIKeyHWGATXQHWDFKLF-UHFFFAOYSA-N
XLogP4.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 54.57
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-naphthalen-2-ylsulfanylpyrimidine?
The IUPAC name of 2-chloro-5-fluoro-4-naphthalen-2-ylsulfanylpyrimidine (CID 79076313) is 2-chloro-5-fluoro-4-naphthalen-2-ylsulfanylpyrimidine.
What is the SMILES notation for 2-chloro-5-fluoro-4-naphthalen-2-ylsulfanylpyrimidine?
The canonical SMILES for 2-chloro-5-fluoro-4-naphthalen-2-ylsulfanylpyrimidine is Fc1cnc(Cl)nc1Sc1ccc2ccccc2c1.
What is the InChIKey of 2-chloro-5-fluoro-4-naphthalen-2-ylsulfanylpyrimidine?
The InChIKey is HWGATXQHWDFKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFN2S/c15-14-17-8-12(16)13(18-14)19-11-6-5-9-3-1-2-4-10(9)7-11/h1-8H.
What are the key properties of 2-chloro-5-fluoro-4-naphthalen-2-ylsulfanylpyrimidine?
2-chloro-5-fluoro-4-naphthalen-2-ylsulfanylpyrimidine has a molecular weight of 290.75 g/mol, XLogP of 4.57, 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-naphthalen-2-ylsulfanylpyrimidine is sourced from PubChem (CID 79076313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).