4-(3,4-dichlorophenyl)sulfanyl-2-(5-fluoro-2-pyridinyl)pyrimidine

C15H8Cl2FN3S — CID 11256656

IUPAC4-(3,4-dichlorophenyl)sulfanyl-2-(5-fluoro-2-pyridinyl)pyrimidine
SMILESFc1ccc(-c2nccc(Sc3ccc(Cl)c(Cl)c3)n2)nc1
InChIInChI=1S/C15H8Cl2FN3S/c16-11-3-2-10(7-12(11)17)22-14-5-6-19-15(21-14)13-4-1-9(18)8-20-13/h1-8H
InChIKeyWIVNCNFPFSEZJX-UHFFFAOYSA-N
MW352.22 g/mol
LogP5.14
Rot. Bonds3

About 4-(3,4-dichlorophenyl)sulfanyl-2-(5-fluoro-2-pyridinyl)pyrimidine

4-(3,4-dichlorophenyl)sulfanyl-2-(5-fluoro-2-pyridinyl)pyrimidine (PubChem CID 11256656) has the molecular formula C15H8Cl2FN3S and a molecular weight of 352.22 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)sulfanyl-2-(5-fluoro-2-pyridinyl)pyrimidine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)sulfanyl-2-(5-fluoro-2-pyridinyl)pyrimidine
PubChem CID11256656
Molecular FormulaC15H8Cl2FN3S
Molecular Weight352.22 g/mol
Exact Mass350.98
IUPAC Name4-(3,4-dichlorophenyl)sulfanyl-2-(5-fluoro-2-pyridinyl)pyrimidine
SMILESFc1ccc(-c2nccc(Sc3ccc(Cl)c(Cl)c3)n2)nc1
InChIInChI=1S/C15H8Cl2FN3S/c16-11-3-2-10(7-12(11)17)22-14-5-6-19-15(21-14)13-4-1-9(18)8-20-13/h1-8H
InChIKeyWIVNCNFPFSEZJX-UHFFFAOYSA-N
XLogP5.14
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.22
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)sulfanyl-2-(5-fluoro-2-pyridinyl)pyrimidine?
The IUPAC name of 4-(3,4-dichlorophenyl)sulfanyl-2-(5-fluoro-2-pyridinyl)pyrimidine (CID 11256656) is 4-(3,4-dichlorophenyl)sulfanyl-2-(5-fluoro-2-pyridinyl)pyrimidine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)sulfanyl-2-(5-fluoro-2-pyridinyl)pyrimidine?
The canonical SMILES for 4-(3,4-dichlorophenyl)sulfanyl-2-(5-fluoro-2-pyridinyl)pyrimidine is Fc1ccc(-c2nccc(Sc3ccc(Cl)c(Cl)c3)n2)nc1.
What is the InChIKey of 4-(3,4-dichlorophenyl)sulfanyl-2-(5-fluoro-2-pyridinyl)pyrimidine?
The InChIKey is WIVNCNFPFSEZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2FN3S/c16-11-3-2-10(7-12(11)17)22-14-5-6-19-15(21-14)13-4-1-9(18)8-20-13/h1-8H.
What are the key properties of 4-(3,4-dichlorophenyl)sulfanyl-2-(5-fluoro-2-pyridinyl)pyrimidine?
4-(3,4-dichlorophenyl)sulfanyl-2-(5-fluoro-2-pyridinyl)pyrimidine has a molecular weight of 352.22 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)sulfanyl-2-(5-fluoro-2-pyridinyl)pyrimidine is sourced from PubChem (CID 11256656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).