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

C19H14N2O4 — CID 72792896

IUPAC4-[5-(2,4-dihydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzene-1,2-diol
SMILESOc1ccc(-c2cnc3[nH]cc(-c4ccc(O)c(O)c4)c3c2)c(O)c1
InChIInChI=1S/C19H14N2O4/c22-12-2-3-13(17(24)7-12)11-5-14-15(9-21-19(14)20-8-11)10-1-4-16(23)18(25)6-10/h1-9,22-25H,(H,20,21)
InChIKeyDCIOFUJXGPQSRS-UHFFFAOYSA-N
MW334.33 g/mol
LogP3.72
Rot. Bonds2

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

4-[5-(2,4-dihydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzene-1,2-diol (PubChem CID 72792896) has the molecular formula C19H14N2O4 and a molecular weight of 334.33 g/mol. Its IUPAC name is 4-[5-(2,4-dihydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[5-(2,4-dihydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzene-1,2-diol
PubChem CID72792896
Molecular FormulaC19H14N2O4
Molecular Weight334.33 g/mol
Exact Mass334.10
IUPAC Name4-[5-(2,4-dihydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzene-1,2-diol
SMILESOc1ccc(-c2cnc3[nH]cc(-c4ccc(O)c(O)c4)c3c2)c(O)c1
InChIInChI=1S/C19H14N2O4/c22-12-2-3-13(17(24)7-12)11-5-14-15(9-21-19(14)20-8-11)10-1-4-16(23)18(25)6-10/h1-9,22-25H,(H,20,21)
InChIKeyDCIOFUJXGPQSRS-UHFFFAOYSA-N
XLogP3.72
TPSA109.60 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 53.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol
CID 11953295
3-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
CID 59700024
3-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol
CID 155519853
3-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenol
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4-[3-(3,4-dihydroxyphenyl)-1H-indol-5-yl]benzene-1,2-diol
CID 73426325
3-[3-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
CID 59700010
3-[3-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
CID 59699823
3-[3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
CID 135983722
5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-ol
CID 133091526
4-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol
CID 70648400
5-(2,4-difluorophenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2-fluorophenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine
CID 161416992
(2,6-difluorophenyl)-[5-(2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,4-dihydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzene-1,2-diol?
The IUPAC name of 4-[5-(2,4-dihydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzene-1,2-diol (CID 72792896) is 4-[5-(2,4-dihydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzene-1,2-diol.
What is the SMILES notation for 4-[5-(2,4-dihydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzene-1,2-diol?
The canonical SMILES for 4-[5-(2,4-dihydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzene-1,2-diol is Oc1ccc(-c2cnc3[nH]cc(-c4ccc(O)c(O)c4)c3c2)c(O)c1.
What is the InChIKey of 4-[5-(2,4-dihydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzene-1,2-diol?
The InChIKey is DCIOFUJXGPQSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4/c22-12-2-3-13(17(24)7-12)11-5-14-15(9-21-19(14)20-8-11)10-1-4-16(23)18(25)6-10/h1-9,22-25H,(H,20,21).
What are the key properties of 4-[5-(2,4-dihydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzene-1,2-diol?
4-[5-(2,4-dihydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzene-1,2-diol has a molecular weight of 334.33 g/mol, XLogP of 3.72, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,4-dihydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzene-1,2-diol is sourced from PubChem (CID 72792896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).