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

C19H14N2O2 — CID 11953235

IUPAC4-[3-(4-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
SMILESOc1ccc(-c2cnc3[nH]cc(-c4ccc(O)cc4)c3c2)cc1
InChIInChI=1S/C19H14N2O2/c22-15-5-1-12(2-6-15)14-9-17-18(11-21-19(17)20-10-14)13-3-7-16(23)8-4-13/h1-11,22-23H,(H,20,21)
InChIKeyUUIPRATXTHJYHH-UHFFFAOYSA-N
MW302.33 g/mol
LogP4.31
Rot. Bonds2

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

4-[3-(4-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol (PubChem CID 11953235) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is 4-[3-(4-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol.

Molecular Properties

Compound Name4-[3-(4-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
PubChem CID11953235
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Name4-[3-(4-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
SMILESOc1ccc(-c2cnc3[nH]cc(-c4ccc(O)cc4)c3c2)cc1
InChIInChI=1S/C19H14N2O2/c22-15-5-1-12(2-6-15)14-9-17-18(11-21-19(17)20-10-14)13-3-7-16(23)8-4-13/h1-11,22-23H,(H,20,21)
InChIKeyUUIPRATXTHJYHH-UHFFFAOYSA-N
XLogP4.31
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol?
The IUPAC name of 4-[3-(4-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol (CID 11953235) is 4-[3-(4-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol.
What is the SMILES notation for 4-[3-(4-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol?
The canonical SMILES for 4-[3-(4-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol is Oc1ccc(-c2cnc3[nH]cc(-c4ccc(O)cc4)c3c2)cc1.
What is the InChIKey of 4-[3-(4-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol?
The InChIKey is UUIPRATXTHJYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2/c22-15-5-1-12(2-6-15)14-9-17-18(11-21-19(17)20-10-14)13-3-7-16(23)8-4-13/h1-11,22-23H,(H,20,21).
What are the key properties of 4-[3-(4-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol?
4-[3-(4-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol has a molecular weight of 302.33 g/mol, XLogP of 4.31, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol is sourced from PubChem (CID 11953235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).