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

C19H14N2O2 — CID 72792898

IUPAC3-[3-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
SMILESOc1cccc(-c2cnc3[nH]cc(-c4cccc(O)c4)c3c2)c1
InChIInChI=1S/C19H14N2O2/c22-15-5-1-3-12(7-15)14-9-17-18(11-21-19(17)20-10-14)13-4-2-6-16(23)8-13/h1-11,22-23H,(H,20,21)
InChIKeyMACHJSMEPKMVPA-UHFFFAOYSA-N
MW302.33 g/mol
LogP4.31
Rot. Bonds2

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

3-[3-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol (PubChem CID 72792898) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is 3-[3-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol.

Molecular Properties

Compound Name3-[3-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
PubChem CID72792898
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Name3-[3-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
SMILESOc1cccc(-c2cnc3[nH]cc(-c4cccc(O)c4)c3c2)c1
InChIInChI=1S/C19H14N2O2/c22-15-5-1-3-12(7-15)14-9-17-18(11-21-19(17)20-10-14)13-4-2-6-16(23)8-13/h1-11,22-23H,(H,20,21)
InChIKeyMACHJSMEPKMVPA-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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Related Compounds

Pki-166
CID 6918403
4-(3-Hydroxyphenyl)-1~{h}-Pyrrolo[2,3-B]pyridine-3-Carbonitrile
CID 24772735
4-[3-(4-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzene-1,2-diol
CID 72792831
Tilfrinib
CID 76332983
3-(3-methoxybenzyl)-1H-pyrrolo(2,3-b)pyridine
CID 24180722
2-(4-(4-amino-5-(3-hydroxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)piperidin-1-yl)acetamide
CID 15858664
3-(4-amino-7-(1-(2-hydroxyethyl)piperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenol
CID 18792861
3-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenol
CID 44381237
2-Fluoro-4-{8,12,14-triazatetracyclo[8.6.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2(7),3,5,10,13,15-heptaen-9-yl}phenol
CID 46224796
3-Fluoro-4-{8,12,14-triazatetracyclo[8.6.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2(7),3,5,10,13,15-heptaen-9-yl}phenol
CID 46224797
3-Fluoro-4-{8,12,14,16-tetraazatetracyclo[8.6.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2(7),3,5,10,13,15-heptaen-9-yl}phenol
CID 46224913
2-Fluoro-4-{8,12,14,16-tetraazatetracyclo[8.6.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2(7),3,5,10,13,15-heptaen-9-yl}phenol
CID 46224936

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol?
The IUPAC name of 3-[3-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol (CID 72792898) is 3-[3-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol.
What is the SMILES notation for 3-[3-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol?
The canonical SMILES for 3-[3-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol is Oc1cccc(-c2cnc3[nH]cc(-c4cccc(O)c4)c3c2)c1.
What is the InChIKey of 3-[3-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol?
The InChIKey is MACHJSMEPKMVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2/c22-15-5-1-3-12(7-15)14-9-17-18(11-21-19(17)20-10-14)13-4-2-6-16(23)8-13/h1-11,22-23H,(H,20,21).
What are the key properties of 3-[3-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol?
3-[3-(3-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 3-[3-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol is sourced from PubChem (CID 72792898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).