4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol

C18H13N3O — CID 11953295

IUPAC4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol
SMILESOc1ccc(-c2c[nH]c3ncc(-c4cccnc4)cc23)cc1
InChIInChI=1S/C18H13N3O/c22-15-5-3-12(4-6-15)17-11-21-18-16(17)8-14(10-20-18)13-2-1-7-19-9-13/h1-11,22H,(H,20,21)
InChIKeyCCZHMPKOFFNNBK-UHFFFAOYSA-N
MW287.32 g/mol
LogP4.00
Rot. Bonds2

About 4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol

4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol (PubChem CID 11953295) has the molecular formula C18H13N3O and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol.

Molecular Properties

Compound Name4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol
PubChem CID11953295
Molecular FormulaC18H13N3O
Molecular Weight287.32 g/mol
Exact Mass287.11
IUPAC Name4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol
SMILESOc1ccc(-c2c[nH]c3ncc(-c4cccnc4)cc23)cc1
InChIInChI=1S/C18H13N3O/c22-15-5-3-12(4-6-15)17-11-21-18-16(17)8-14(10-20-18)13-2-1-7-19-9-13/h1-11,22H,(H,20,21)
InChIKeyCCZHMPKOFFNNBK-UHFFFAOYSA-N
XLogP4.00
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol?
The IUPAC name of 4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol (CID 11953295) is 4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol.
What is the SMILES notation for 4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol?
The canonical SMILES for 4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol is Oc1ccc(-c2c[nH]c3ncc(-c4cccnc4)cc23)cc1.
What is the InChIKey of 4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol?
The InChIKey is CCZHMPKOFFNNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O/c22-15-5-3-12(4-6-15)17-11-21-18-16(17)8-14(10-20-18)13-2-1-7-19-9-13/h1-11,22H,(H,20,21).
What are the key properties of 4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol?
4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol has a molecular weight of 287.32 g/mol, XLogP of 4.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol is sourced from PubChem (CID 11953295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).