2-hydroxy-3-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1H-indole-5-carbonitrile

C16H10N4O — CID 135513097

IUPAC2-hydroxy-3-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]c(O)c(-c3ccc4cc[nH]c4n3)c2c1
InChIInChI=1S/C16H10N4O/c17-8-9-1-3-12-11(7-9)14(16(21)20-12)13-4-2-10-5-6-18-15(10)19-13/h1-7,20-21H,(H,18,19)
InChIKeySWLNCQMZIYKZKP-UHFFFAOYSA-N
MW274.28 g/mol
LogP3.29
Rot. Bonds1

About 2-hydroxy-3-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1H-indole-5-carbonitrile

2-hydroxy-3-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1H-indole-5-carbonitrile (PubChem CID 135513097) has the molecular formula C16H10N4O and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-hydroxy-3-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name2-hydroxy-3-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1H-indole-5-carbonitrile
PubChem CID135513097
Molecular FormulaC16H10N4O
Molecular Weight274.28 g/mol
Exact Mass274.09
IUPAC Name2-hydroxy-3-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]c(O)c(-c3ccc4cc[nH]c4n3)c2c1
InChIInChI=1S/C16H10N4O/c17-8-9-1-3-12-11(7-9)14(16(21)20-12)13-4-2-10-5-6-18-15(10)19-13/h1-7,20-21H,(H,18,19)
InChIKeySWLNCQMZIYKZKP-UHFFFAOYSA-N
XLogP3.29
TPSA88.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1H-indole-5-carbonitrile?
The IUPAC name of 2-hydroxy-3-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1H-indole-5-carbonitrile (CID 135513097) is 2-hydroxy-3-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1H-indole-5-carbonitrile.
What is the SMILES notation for 2-hydroxy-3-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1H-indole-5-carbonitrile?
The canonical SMILES for 2-hydroxy-3-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1H-indole-5-carbonitrile is N#Cc1ccc2[nH]c(O)c(-c3ccc4cc[nH]c4n3)c2c1.
What is the InChIKey of 2-hydroxy-3-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1H-indole-5-carbonitrile?
The InChIKey is SWLNCQMZIYKZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4O/c17-8-9-1-3-12-11(7-9)14(16(21)20-12)13-4-2-10-5-6-18-15(10)19-13/h1-7,20-21H,(H,18,19).
What are the key properties of 2-hydroxy-3-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1H-indole-5-carbonitrile?
2-hydroxy-3-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1H-indole-5-carbonitrile has a molecular weight of 274.28 g/mol, XLogP of 3.29, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1H-indole-5-carbonitrile is sourced from PubChem (CID 135513097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).