5-bromo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine

C10H5BrF3N3S — CID 66319385

IUPAC5-bromo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine
SMILESFC(F)(F)c1ccc(Sc2ncncc2Br)nc1
InChIInChI=1S/C10H5BrF3N3S/c11-7-4-15-5-17-9(7)18-8-2-1-6(3-16-8)10(12,13)14/h1-5H
InChIKeyDETRJEMUJITAKS-UHFFFAOYSA-N
MW336.14 g/mol
LogP3.80
Rot. Bonds2

About 5-bromo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine

5-bromo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine (PubChem CID 66319385) has the molecular formula C10H5BrF3N3S and a molecular weight of 336.14 g/mol. Its IUPAC name is 5-bromo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine.

Molecular Properties

Compound Name5-bromo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine
PubChem CID66319385
Molecular FormulaC10H5BrF3N3S
Molecular Weight336.14 g/mol
Exact Mass334.93
IUPAC Name5-bromo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine
SMILESFC(F)(F)c1ccc(Sc2ncncc2Br)nc1
InChIInChI=1S/C10H5BrF3N3S/c11-7-4-15-5-17-9(7)18-8-2-1-6(3-16-8)10(12,13)14/h1-5H
InChIKeyDETRJEMUJITAKS-UHFFFAOYSA-N
XLogP3.80
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.14
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine?
The IUPAC name of 5-bromo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine (CID 66319385) is 5-bromo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine.
What is the SMILES notation for 5-bromo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine?
The canonical SMILES for 5-bromo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine is FC(F)(F)c1ccc(Sc2ncncc2Br)nc1.
What is the InChIKey of 5-bromo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine?
The InChIKey is DETRJEMUJITAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrF3N3S/c11-7-4-15-5-17-9(7)18-8-2-1-6(3-16-8)10(12,13)14/h1-5H.
What are the key properties of 5-bromo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine?
5-bromo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine has a molecular weight of 336.14 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine is sourced from PubChem (CID 66319385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).