2-(2-hydroxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-b]pyridin-3-one

C14H8N4O2 — CID 135914522

IUPAC2-(2-hydroxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-b]pyridin-3-one
SMILESO=C1C(c2c(O)[nH]c3ncccc23)=Nc2ncccc21
InChIInChI=1S/C14H8N4O2/c19-11-8-4-2-6-16-13(8)17-10(11)9-7-3-1-5-15-12(7)18-14(9)20/h1-6,20H,(H,15,18)
InChIKeyBSDDDBOSUGDVCL-UHFFFAOYSA-N
MW264.24 g/mol
LogP1.98
Rot. Bonds1

About 2-(2-hydroxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-b]pyridin-3-one

2-(2-hydroxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-b]pyridin-3-one (PubChem CID 135914522) has the molecular formula C14H8N4O2 and a molecular weight of 264.24 g/mol. Its IUPAC name is 2-(2-hydroxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-b]pyridin-3-one.

Molecular Properties

Compound Name2-(2-hydroxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-b]pyridin-3-one
PubChem CID135914522
Molecular FormulaC14H8N4O2
Molecular Weight264.24 g/mol
Exact Mass264.06
IUPAC Name2-(2-hydroxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-b]pyridin-3-one
SMILESO=C1C(c2c(O)[nH]c3ncccc23)=Nc2ncccc21
InChIInChI=1S/C14H8N4O2/c19-11-8-4-2-6-16-13(8)17-10(11)9-7-3-1-5-15-12(7)18-14(9)20/h1-6,20H,(H,15,18)
InChIKeyBSDDDBOSUGDVCL-UHFFFAOYSA-N
XLogP1.98
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(2,3-Difluorophenyl)-1,2-Oxazol-5-Yl]-5-(Pyridin-4-Yl)-1h-Pyrrolo[2,3-B]pyridine
CID 135566739
N,3-bis(4-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 137648784
2-(2-hydroxy-1H-pyrrolo[2,3-b]pyridin-3-yl)indol-3-one
CID 135911864
4-[2-(4-fluorophenyl)-3-(3-pyridylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-isoxazole
CID 86267503
N,5-bis(4-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 137638175
2-(2-hydroxy-1H-indol-3-yl)pyrrolo[2,3-b]pyridin-3-one
CID 135878275
methyl 5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
CID 137633134
methyl 5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
CID 137657071
4-(1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
CID 145962754
2-(2-Hydroxy-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)indol-3-one
CID 168287360
2-(1-Ethyl-2-hydroxypyrrolo[2,3-b]pyridin-3-yl)indol-3-one
CID 168288404
2-(2-Hydroxy-1-methylpyrrolo[2,3-b]pyridin-3-yl)indol-3-one
CID 135911865

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-b]pyridin-3-one?
The IUPAC name of 2-(2-hydroxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-b]pyridin-3-one (CID 135914522) is 2-(2-hydroxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-b]pyridin-3-one.
What is the SMILES notation for 2-(2-hydroxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-b]pyridin-3-one?
The canonical SMILES for 2-(2-hydroxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-b]pyridin-3-one is O=C1C(c2c(O)[nH]c3ncccc23)=Nc2ncccc21.
What is the InChIKey of 2-(2-hydroxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-b]pyridin-3-one?
The InChIKey is BSDDDBOSUGDVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N4O2/c19-11-8-4-2-6-16-13(8)17-10(11)9-7-3-1-5-15-12(7)18-14(9)20/h1-6,20H,(H,15,18).
What are the key properties of 2-(2-hydroxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-b]pyridin-3-one?
2-(2-hydroxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-b]pyridin-3-one has a molecular weight of 264.24 g/mol, XLogP of 1.98, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-b]pyridin-3-one is sourced from PubChem (CID 135914522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).