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

C10H5ClF3N3S — CID 55065185

IUPAC2-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine
SMILESFC(F)(F)c1ccc(Sc2ccnc(Cl)n2)nc1
InChIInChI=1S/C10H5ClF3N3S/c11-9-15-4-3-8(17-9)18-7-2-1-6(5-16-7)10(12,13)14/h1-5H
InChIKeyIATPZUKXYCTDMW-UHFFFAOYSA-N
MW291.69 g/mol
LogP3.69
Rot. Bonds2

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

2-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine (PubChem CID 55065185) has the molecular formula C10H5ClF3N3S and a molecular weight of 291.69 g/mol. Its IUPAC name is 2-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine
PubChem CID55065185
Molecular FormulaC10H5ClF3N3S
Molecular Weight291.69 g/mol
Exact Mass290.98
IUPAC Name2-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine
SMILESFC(F)(F)c1ccc(Sc2ccnc(Cl)n2)nc1
InChIInChI=1S/C10H5ClF3N3S/c11-9-15-4-3-8(17-9)18-7-2-1-6(5-16-7)10(12,13)14/h1-5H
InChIKeyIATPZUKXYCTDMW-UHFFFAOYSA-N
XLogP3.69
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine?
The IUPAC name of 2-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine (CID 55065185) is 2-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine.
What is the SMILES notation for 2-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine?
The canonical SMILES for 2-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine is FC(F)(F)c1ccc(Sc2ccnc(Cl)n2)nc1.
What is the InChIKey of 2-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine?
The InChIKey is IATPZUKXYCTDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF3N3S/c11-9-15-4-3-8(17-9)18-7-2-1-6(5-16-7)10(12,13)14/h1-5H.
What are the key properties of 2-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine?
2-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine has a molecular weight of 291.69 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine is sourced from PubChem (CID 55065185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).