8-[5-(trifluoromethyl)-2-pyridinyl]-7H-purine

C11H6F3N5 — CID 114909130

IUPAC8-[5-(trifluoromethyl)-2-pyridinyl]-7H-purine
SMILESFC(F)(F)c1ccc(-c2nc3ncncc3[nH]2)nc1
InChIInChI=1S/C11H6F3N5/c12-11(13,14)6-1-2-7(16-3-6)10-18-8-4-15-5-17-9(8)19-10/h1-5H,(H,15,17,18,19)
InChIKeyWXSVVCOPDLEDPZ-UHFFFAOYSA-N
MW265.20 g/mol
LogP2.43
Rot. Bonds1

About 8-[5-(trifluoromethyl)-2-pyridinyl]-7H-purine

8-[5-(trifluoromethyl)-2-pyridinyl]-7H-purine (PubChem CID 114909130) has the molecular formula C11H6F3N5 and a molecular weight of 265.20 g/mol. Its IUPAC name is 8-[5-(trifluoromethyl)-2-pyridinyl]-7H-purine.

Molecular Properties

Compound Name8-[5-(trifluoromethyl)-2-pyridinyl]-7H-purine
PubChem CID114909130
Molecular FormulaC11H6F3N5
Molecular Weight265.20 g/mol
Exact Mass265.06
IUPAC Name8-[5-(trifluoromethyl)-2-pyridinyl]-7H-purine
SMILESFC(F)(F)c1ccc(-c2nc3ncncc3[nH]2)nc1
InChIInChI=1S/C11H6F3N5/c12-11(13,14)6-1-2-7(16-3-6)10-18-8-4-15-5-17-9(8)19-10/h1-5H,(H,15,17,18,19)
InChIKeyWXSVVCOPDLEDPZ-UHFFFAOYSA-N
XLogP2.43
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.20
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[5-(trifluoromethyl)-2-pyridinyl]-7H-purine?
The IUPAC name of 8-[5-(trifluoromethyl)-2-pyridinyl]-7H-purine (CID 114909130) is 8-[5-(trifluoromethyl)-2-pyridinyl]-7H-purine.
What is the SMILES notation for 8-[5-(trifluoromethyl)-2-pyridinyl]-7H-purine?
The canonical SMILES for 8-[5-(trifluoromethyl)-2-pyridinyl]-7H-purine is FC(F)(F)c1ccc(-c2nc3ncncc3[nH]2)nc1.
What is the InChIKey of 8-[5-(trifluoromethyl)-2-pyridinyl]-7H-purine?
The InChIKey is WXSVVCOPDLEDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3N5/c12-11(13,14)6-1-2-7(16-3-6)10-18-8-4-15-5-17-9(8)19-10/h1-5H,(H,15,17,18,19).
What are the key properties of 8-[5-(trifluoromethyl)-2-pyridinyl]-7H-purine?
8-[5-(trifluoromethyl)-2-pyridinyl]-7H-purine has a molecular weight of 265.20 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(trifluoromethyl)-2-pyridinyl]-7H-purine is sourced from PubChem (CID 114909130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).