3-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenol

C12H9N3O — CID 6538769

IUPAC3-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenol
SMILESOc1cccc(-c2cc3nccnc3[nH]2)c1
InChIInChI=1S/C12H9N3O/c16-9-3-1-2-8(6-9)10-7-11-12(15-10)14-5-4-13-11/h1-7,16H,(H,14,15)
InChIKeyAOMYIZAIWCPGEC-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.33
Rot. Bonds1

About 3-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenol

3-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenol (PubChem CID 6538769) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenol.

Molecular Properties

Compound Name3-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenol
PubChem CID6538769
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name3-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenol
SMILESOc1cccc(-c2cc3nccnc3[nH]2)c1
InChIInChI=1S/C12H9N3O/c16-9-3-1-2-8(6-9)10-7-11-12(15-10)14-5-4-13-11/h1-7,16H,(H,14,15)
InChIKeyAOMYIZAIWCPGEC-UHFFFAOYSA-N
XLogP2.33
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenol?
The IUPAC name of 3-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenol (CID 6538769) is 3-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenol.
What is the SMILES notation for 3-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenol?
The canonical SMILES for 3-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenol is Oc1cccc(-c2cc3nccnc3[nH]2)c1.
What is the InChIKey of 3-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenol?
The InChIKey is AOMYIZAIWCPGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c16-9-3-1-2-8(6-9)10-7-11-12(15-10)14-5-4-13-11/h1-7,16H,(H,14,15).
What are the key properties of 3-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenol?
3-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenol has a molecular weight of 211.22 g/mol, XLogP of 2.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5H-pyrrolo[2,3-b]pyrazin-6-yl)phenol is sourced from PubChem (CID 6538769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).