4-(5-formylpyrrolo[2,3-b]pyridin-1-yl)-2-hydroxybenzonitrile

C15H9N3O2 — CID 163260904

IUPAC4-(5-formylpyrrolo[2,3-b]pyridin-1-yl)-2-hydroxybenzonitrile
SMILESN#Cc1ccc(-n2ccc3cc(C=O)cnc32)cc1O
InChIInChI=1S/C15H9N3O2/c16-7-12-1-2-13(6-14(12)20)18-4-3-11-5-10(9-19)8-17-15(11)18/h1-6,8-9,20H
InChIKeyZPGGRYLUFLYGEP-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.42
Rot. Bonds2

About 4-(5-formylpyrrolo[2,3-b]pyridin-1-yl)-2-hydroxybenzonitrile

4-(5-formylpyrrolo[2,3-b]pyridin-1-yl)-2-hydroxybenzonitrile (PubChem CID 163260904) has the molecular formula C15H9N3O2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 4-(5-formylpyrrolo[2,3-b]pyridin-1-yl)-2-hydroxybenzonitrile.

Molecular Properties

Compound Name4-(5-formylpyrrolo[2,3-b]pyridin-1-yl)-2-hydroxybenzonitrile
PubChem CID163260904
Molecular FormulaC15H9N3O2
Molecular Weight263.26 g/mol
Exact Mass263.07
IUPAC Name4-(5-formylpyrrolo[2,3-b]pyridin-1-yl)-2-hydroxybenzonitrile
SMILESN#Cc1ccc(-n2ccc3cc(C=O)cnc32)cc1O
InChIInChI=1S/C15H9N3O2/c16-7-12-1-2-13(6-14(12)20)18-4-3-11-5-10(9-19)8-17-15(11)18/h1-6,8-9,20H
InChIKeyZPGGRYLUFLYGEP-UHFFFAOYSA-N
XLogP2.42
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-formylpyrrolo[2,3-b]pyridin-1-yl)-2-hydroxybenzonitrile?
The IUPAC name of 4-(5-formylpyrrolo[2,3-b]pyridin-1-yl)-2-hydroxybenzonitrile (CID 163260904) is 4-(5-formylpyrrolo[2,3-b]pyridin-1-yl)-2-hydroxybenzonitrile.
What is the SMILES notation for 4-(5-formylpyrrolo[2,3-b]pyridin-1-yl)-2-hydroxybenzonitrile?
The canonical SMILES for 4-(5-formylpyrrolo[2,3-b]pyridin-1-yl)-2-hydroxybenzonitrile is N#Cc1ccc(-n2ccc3cc(C=O)cnc32)cc1O.
What is the InChIKey of 4-(5-formylpyrrolo[2,3-b]pyridin-1-yl)-2-hydroxybenzonitrile?
The InChIKey is ZPGGRYLUFLYGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O2/c16-7-12-1-2-13(6-14(12)20)18-4-3-11-5-10(9-19)8-17-15(11)18/h1-6,8-9,20H.
What are the key properties of 4-(5-formylpyrrolo[2,3-b]pyridin-1-yl)-2-hydroxybenzonitrile?
4-(5-formylpyrrolo[2,3-b]pyridin-1-yl)-2-hydroxybenzonitrile has a molecular weight of 263.26 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-formylpyrrolo[2,3-b]pyridin-1-yl)-2-hydroxybenzonitrile is sourced from PubChem (CID 163260904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).