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

C10H4ClF4N3S — CID 79076312

IUPAC2-chloro-5-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine
SMILESFc1cnc(Cl)nc1Sc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H4ClF4N3S/c11-9-17-4-6(12)8(18-9)19-7-2-1-5(3-16-7)10(13,14)15/h1-4H
InChIKeyKDOBQOZLEXUKTI-UHFFFAOYSA-N
MW309.68 g/mol
LogP3.83
Rot. Bonds2

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

2-chloro-5-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine (PubChem CID 79076312) has the molecular formula C10H4ClF4N3S and a molecular weight of 309.68 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine
PubChem CID79076312
Molecular FormulaC10H4ClF4N3S
Molecular Weight309.68 g/mol
Exact Mass308.98
IUPAC Name2-chloro-5-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine
SMILESFc1cnc(Cl)nc1Sc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H4ClF4N3S/c11-9-17-4-6(12)8(18-9)19-7-2-1-5(3-16-7)10(13,14)15/h1-4H
InChIKeyKDOBQOZLEXUKTI-UHFFFAOYSA-N
XLogP3.83
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.68
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine?
The IUPAC name of 2-chloro-5-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine (CID 79076312) is 2-chloro-5-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine.
What is the SMILES notation for 2-chloro-5-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine?
The canonical SMILES for 2-chloro-5-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine is Fc1cnc(Cl)nc1Sc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-chloro-5-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine?
The InChIKey is KDOBQOZLEXUKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4ClF4N3S/c11-9-17-4-6(12)8(18-9)19-7-2-1-5(3-16-7)10(13,14)15/h1-4H.
What are the key properties of 2-chloro-5-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine?
2-chloro-5-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine has a molecular weight of 309.68 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine is sourced from PubChem (CID 79076312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).