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

C17H12N2O2 — CID 155519853

IUPAC3-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol
SMILESOc1cccc(-c2c[nH]c3ncc(-c4ccoc4)cc23)c1
InChIInChI=1S/C17H12N2O2/c20-14-3-1-2-11(6-14)16-9-19-17-15(16)7-13(8-18-17)12-4-5-21-10-12/h1-10,20H,(H,18,19)
InChIKeyNBPSTDXJBLJRSQ-UHFFFAOYSA-N
MW276.30 g/mol
LogP4.20
Rot. Bonds2

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

3-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol (PubChem CID 155519853) has the molecular formula C17H12N2O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol.

Molecular Properties

Compound Name3-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol
PubChem CID155519853
Molecular FormulaC17H12N2O2
Molecular Weight276.30 g/mol
Exact Mass276.09
IUPAC Name3-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol
SMILESOc1cccc(-c2c[nH]c3ncc(-c4ccoc4)cc23)c1
InChIInChI=1S/C17H12N2O2/c20-14-3-1-2-11(6-14)16-9-19-17-15(16)7-13(8-18-17)12-4-5-21-10-12/h1-10,20H,(H,18,19)
InChIKeyNBPSTDXJBLJRSQ-UHFFFAOYSA-N
XLogP4.20
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol?
The IUPAC name of 3-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol (CID 155519853) is 3-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol.
What is the SMILES notation for 3-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol?
The canonical SMILES for 3-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol is Oc1cccc(-c2c[nH]c3ncc(-c4ccoc4)cc23)c1.
What is the InChIKey of 3-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol?
The InChIKey is NBPSTDXJBLJRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2/c20-14-3-1-2-11(6-14)16-9-19-17-15(16)7-13(8-18-17)12-4-5-21-10-12/h1-10,20H,(H,18,19).
What are the key properties of 3-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol?
3-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol has a molecular weight of 276.30 g/mol, XLogP of 4.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol is sourced from PubChem (CID 155519853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).