6-[4-(trifluoromethyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine

C13H8F3N3 — CID 6538778

IUPAC6-[4-(trifluoromethyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine
SMILESFC(F)(F)c1ccc(-c2cc3nccnc3[nH]2)cc1
InChIInChI=1S/C13H8F3N3/c14-13(15,16)9-3-1-8(2-4-9)10-7-11-12(19-10)18-6-5-17-11/h1-7H,(H,18,19)
InChIKeyVDTPNYRFOHKFRY-UHFFFAOYSA-N
MW263.22 g/mol
LogP3.64
Rot. Bonds1

About 6-[4-(trifluoromethyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine

6-[4-(trifluoromethyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 6538778) has the molecular formula C13H8F3N3 and a molecular weight of 263.22 g/mol. Its IUPAC name is 6-[4-(trifluoromethyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name6-[4-(trifluoromethyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine
PubChem CID6538778
Molecular FormulaC13H8F3N3
Molecular Weight263.22 g/mol
Exact Mass263.07
IUPAC Name6-[4-(trifluoromethyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine
SMILESFC(F)(F)c1ccc(-c2cc3nccnc3[nH]2)cc1
InChIInChI=1S/C13H8F3N3/c14-13(15,16)9-3-1-8(2-4-9)10-7-11-12(19-10)18-6-5-17-11/h1-7H,(H,18,19)
InChIKeyVDTPNYRFOHKFRY-UHFFFAOYSA-N
XLogP3.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(trifluoromethyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 6-[4-(trifluoromethyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine (CID 6538778) is 6-[4-(trifluoromethyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 6-[4-(trifluoromethyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 6-[4-(trifluoromethyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine is FC(F)(F)c1ccc(-c2cc3nccnc3[nH]2)cc1.
What is the InChIKey of 6-[4-(trifluoromethyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is VDTPNYRFOHKFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3/c14-13(15,16)9-3-1-8(2-4-9)10-7-11-12(19-10)18-6-5-17-11/h1-7H,(H,18,19).
What are the key properties of 6-[4-(trifluoromethyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine?
6-[4-(trifluoromethyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 263.22 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(trifluoromethyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 6538778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).