5-bromo-2-(3-chlorophenyl)sulfanylpyrimidine

C10H6BrClN2S — CID 63868684

IUPAC5-bromo-2-(3-chlorophenyl)sulfanylpyrimidine
SMILESClc1cccc(Sc2ncc(Br)cn2)c1
InChIInChI=1S/C10H6BrClN2S/c11-7-5-13-10(14-6-7)15-9-3-1-2-8(12)4-9/h1-6H
InChIKeyMKXWBHATNUUMHI-UHFFFAOYSA-N
MW301.60 g/mol
LogP4.04
Rot. Bonds2

About 5-bromo-2-(3-chlorophenyl)sulfanylpyrimidine

5-bromo-2-(3-chlorophenyl)sulfanylpyrimidine (PubChem CID 63868684) has the molecular formula C10H6BrClN2S and a molecular weight of 301.60 g/mol. Its IUPAC name is 5-bromo-2-(3-chlorophenyl)sulfanylpyrimidine.

Molecular Properties

Compound Name5-bromo-2-(3-chlorophenyl)sulfanylpyrimidine
PubChem CID63868684
Molecular FormulaC10H6BrClN2S
Molecular Weight301.60 g/mol
Exact Mass299.91
IUPAC Name5-bromo-2-(3-chlorophenyl)sulfanylpyrimidine
SMILESClc1cccc(Sc2ncc(Br)cn2)c1
InChIInChI=1S/C10H6BrClN2S/c11-7-5-13-10(14-6-7)15-9-3-1-2-8(12)4-9/h1-6H
InChIKeyMKXWBHATNUUMHI-UHFFFAOYSA-N
XLogP4.04
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.60
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-chlorophenyl)sulfanylpyrimidine?
The IUPAC name of 5-bromo-2-(3-chlorophenyl)sulfanylpyrimidine (CID 63868684) is 5-bromo-2-(3-chlorophenyl)sulfanylpyrimidine.
What is the SMILES notation for 5-bromo-2-(3-chlorophenyl)sulfanylpyrimidine?
The canonical SMILES for 5-bromo-2-(3-chlorophenyl)sulfanylpyrimidine is Clc1cccc(Sc2ncc(Br)cn2)c1.
What is the InChIKey of 5-bromo-2-(3-chlorophenyl)sulfanylpyrimidine?
The InChIKey is MKXWBHATNUUMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClN2S/c11-7-5-13-10(14-6-7)15-9-3-1-2-8(12)4-9/h1-6H.
What are the key properties of 5-bromo-2-(3-chlorophenyl)sulfanylpyrimidine?
5-bromo-2-(3-chlorophenyl)sulfanylpyrimidine has a molecular weight of 301.60 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-chlorophenyl)sulfanylpyrimidine is sourced from PubChem (CID 63868684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).