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

C21H16N2O2 — CID 59700024

IUPAC3-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
SMILESOc1cccc(-c2cnc3[nH]cc(-c4ccc5c(c4)CCO5)c3c2)c1
InChIInChI=1S/C21H16N2O2/c24-17-3-1-2-13(9-17)16-10-18-19(12-23-21(18)22-11-16)14-4-5-20-15(8-14)6-7-25-20/h1-5,8-12,24H,6-7H2,(H,22,23)
InChIKeyHYOPEXYBAVJICO-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.54
Rot. Bonds2

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

3-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol (PubChem CID 59700024) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol.

Molecular Properties

Compound Name3-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
PubChem CID59700024
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name3-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
SMILESOc1cccc(-c2cnc3[nH]cc(-c4ccc5c(c4)CCO5)c3c2)c1
InChIInChI=1S/C21H16N2O2/c24-17-3-1-2-13(9-17)16-10-18-19(12-23-21(18)22-11-16)14-4-5-20-15(8-14)6-7-25-20/h1-5,8-12,24H,6-7H2,(H,22,23)
InChIKeyHYOPEXYBAVJICO-UHFFFAOYSA-N
XLogP4.54
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenol
CID 59699898
3-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol
CID 155519853
3-[3-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
CID 59700010
3-[3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
CID 135983722
3-[3-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
CID 59699823
[3-[3-(1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
CID 59700143
4-[5-(2,4-dihydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzene-1,2-diol
CID 72792896
4-(2,3-dihydro-1-benzofuran-5-yl)-3-fluorophenol
CID 104545385
3-[3-(2-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
CID 59700118
4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol
CID 11953295
morpholin-4-yl-[3-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanone
CID 59699864
3-(3,4-dimethoxyphenyl)-5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 118709501

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol?
The IUPAC name of 3-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol (CID 59700024) is 3-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol.
What is the SMILES notation for 3-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol?
The canonical SMILES for 3-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol is Oc1cccc(-c2cnc3[nH]cc(-c4ccc5c(c4)CCO5)c3c2)c1.
What is the InChIKey of 3-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol?
The InChIKey is HYOPEXYBAVJICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c24-17-3-1-2-13(9-17)16-10-18-19(12-23-21(18)22-11-16)14-4-5-20-15(8-14)6-7-25-20/h1-5,8-12,24H,6-7H2,(H,22,23).
What are the key properties of 3-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol?
3-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol has a molecular weight of 328.37 g/mol, XLogP of 4.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol is sourced from PubChem (CID 59700024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).