4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylsulfanylpyrimidine

C11H7ClF3N3S — CID 71628469

IUPAC4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylsulfanylpyrimidine
SMILESCSc1nccc(-c2ncc(C(F)(F)F)cc2Cl)n1
InChIInChI=1S/C11H7ClF3N3S/c1-19-10-16-3-2-8(18-10)9-7(12)4-6(5-17-9)11(13,14)15/h2-5H,1H3
InChIKeyPANYDFCTCGFPLD-UHFFFAOYSA-N
MW305.71 g/mol
LogP3.93
Rot. Bonds2

About 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylsulfanylpyrimidine

4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylsulfanylpyrimidine (PubChem CID 71628469) has the molecular formula C11H7ClF3N3S and a molecular weight of 305.71 g/mol. Its IUPAC name is 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylsulfanylpyrimidine
PubChem CID71628469
Molecular FormulaC11H7ClF3N3S
Molecular Weight305.71 g/mol
Exact Mass305.00
IUPAC Name4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylsulfanylpyrimidine
SMILESCSc1nccc(-c2ncc(C(F)(F)F)cc2Cl)n1
InChIInChI=1S/C11H7ClF3N3S/c1-19-10-16-3-2-8(18-10)9-7(12)4-6(5-17-9)11(13,14)15/h2-5H,1H3
InChIKeyPANYDFCTCGFPLD-UHFFFAOYSA-N
XLogP3.93
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.71
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfanyl-4-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]pyrimidine
CID 18317248
2-[(4-chlorophenyl)methylsulfonyl]-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrimidine
CID 71628219
4-(2-chlorophenyl)-2-methylsulfanylpyrimidine
CID 57263424
2-(2-methylsulfanylpyrimidin-4-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidine
CID 58824663
2-(4-chlorophenyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole
CID 110208677
6-chloro-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-b]pyridazine
CID 57478198
5-chloro-2-methylsulfanyl-4-(trifluoromethyl)pyrimidine
CID 54083131
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 110208879
3-(2-methylsulfanylpyrimidin-4-yl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidin-7-amine
CID 23000361
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
CID 71299224
4-[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-2-methylsulfanylpyrimidine
CID 126482383
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-iodo-3-methylimidazo[4,5-b]pyridine
CID 90271643

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylsulfanylpyrimidine?
The IUPAC name of 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylsulfanylpyrimidine (CID 71628469) is 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylsulfanylpyrimidine is CSc1nccc(-c2ncc(C(F)(F)F)cc2Cl)n1.
What is the InChIKey of 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylsulfanylpyrimidine?
The InChIKey is PANYDFCTCGFPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3N3S/c1-19-10-16-3-2-8(18-10)9-7(12)4-6(5-17-9)11(13,14)15/h2-5H,1H3.
What are the key properties of 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylsulfanylpyrimidine?
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylsulfanylpyrimidine has a molecular weight of 305.71 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylsulfanylpyrimidine is sourced from PubChem (CID 71628469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).