4-(1H-pyrrolo[2,3-b]pyridin-2-yl)phenol

C13H10N2O — CID 77230897

IUPAC4-(1H-pyrrolo[2,3-b]pyridin-2-yl)phenol
SMILESOc1ccc(-c2cc3cccnc3[nH]2)cc1
InChIInChI=1S/C13H10N2O/c16-11-5-3-9(4-6-11)12-8-10-2-1-7-14-13(10)15-12/h1-8,16H,(H,14,15)
InChIKeyXZQLYCMLGSOHOX-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.94
Rot. Bonds1

About 4-(1H-pyrrolo[2,3-b]pyridin-2-yl)phenol

4-(1H-pyrrolo[2,3-b]pyridin-2-yl)phenol (PubChem CID 77230897) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 4-(1H-pyrrolo[2,3-b]pyridin-2-yl)phenol.

Molecular Properties

Compound Name4-(1H-pyrrolo[2,3-b]pyridin-2-yl)phenol
PubChem CID77230897
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name4-(1H-pyrrolo[2,3-b]pyridin-2-yl)phenol
SMILESOc1ccc(-c2cc3cccnc3[nH]2)cc1
InChIInChI=1S/C13H10N2O/c16-11-5-3-9(4-6-11)12-8-10-2-1-7-14-13(10)15-12/h1-8,16H,(H,14,15)
InChIKeyXZQLYCMLGSOHOX-UHFFFAOYSA-N
XLogP2.94
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrrolo[2,3-b]pyridin-2-yl)phenol?
The IUPAC name of 4-(1H-pyrrolo[2,3-b]pyridin-2-yl)phenol (CID 77230897) is 4-(1H-pyrrolo[2,3-b]pyridin-2-yl)phenol.
What is the SMILES notation for 4-(1H-pyrrolo[2,3-b]pyridin-2-yl)phenol?
The canonical SMILES for 4-(1H-pyrrolo[2,3-b]pyridin-2-yl)phenol is Oc1ccc(-c2cc3cccnc3[nH]2)cc1.
What is the InChIKey of 4-(1H-pyrrolo[2,3-b]pyridin-2-yl)phenol?
The InChIKey is XZQLYCMLGSOHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c16-11-5-3-9(4-6-11)12-8-10-2-1-7-14-13(10)15-12/h1-8,16H,(H,14,15).
What are the key properties of 4-(1H-pyrrolo[2,3-b]pyridin-2-yl)phenol?
4-(1H-pyrrolo[2,3-b]pyridin-2-yl)phenol has a molecular weight of 210.24 g/mol, XLogP of 2.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrrolo[2,3-b]pyridin-2-yl)phenol is sourced from PubChem (CID 77230897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).