5-(5-formylpyrrolo[2,3-b]pyridin-1-yl)pyridine-2-carbonitrile

C14H8N4O — CID 163261106

IUPAC5-(5-formylpyrrolo[2,3-b]pyridin-1-yl)pyridine-2-carbonitrile
SMILESN#Cc1ccc(-n2ccc3cc(C=O)cnc32)cn1
InChIInChI=1S/C14H8N4O/c15-6-12-1-2-13(8-16-12)18-4-3-11-5-10(9-19)7-17-14(11)18/h1-5,7-9H
InChIKeyDFQGIAXBJBCBCU-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.10
Rot. Bonds2

About 5-(5-formylpyrrolo[2,3-b]pyridin-1-yl)pyridine-2-carbonitrile

5-(5-formylpyrrolo[2,3-b]pyridin-1-yl)pyridine-2-carbonitrile (PubChem CID 163261106) has the molecular formula C14H8N4O and a molecular weight of 248.25 g/mol. Its IUPAC name is 5-(5-formylpyrrolo[2,3-b]pyridin-1-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(5-formylpyrrolo[2,3-b]pyridin-1-yl)pyridine-2-carbonitrile
PubChem CID163261106
Molecular FormulaC14H8N4O
Molecular Weight248.25 g/mol
Exact Mass248.07
IUPAC Name5-(5-formylpyrrolo[2,3-b]pyridin-1-yl)pyridine-2-carbonitrile
SMILESN#Cc1ccc(-n2ccc3cc(C=O)cnc32)cn1
InChIInChI=1S/C14H8N4O/c15-6-12-1-2-13(8-16-12)18-4-3-11-5-10(9-19)7-17-14(11)18/h1-5,7-9H
InChIKeyDFQGIAXBJBCBCU-UHFFFAOYSA-N
XLogP2.10
TPSA71.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.10
H-Bond Donors ≤ 50
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 5-(5-formylpyrrolo[2,3-b]pyridin-1-yl)pyridine-2-carbonitrile?
The IUPAC name of 5-(5-formylpyrrolo[2,3-b]pyridin-1-yl)pyridine-2-carbonitrile (CID 163261106) is 5-(5-formylpyrrolo[2,3-b]pyridin-1-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(5-formylpyrrolo[2,3-b]pyridin-1-yl)pyridine-2-carbonitrile?
The canonical SMILES for 5-(5-formylpyrrolo[2,3-b]pyridin-1-yl)pyridine-2-carbonitrile is N#Cc1ccc(-n2ccc3cc(C=O)cnc32)cn1.
What is the InChIKey of 5-(5-formylpyrrolo[2,3-b]pyridin-1-yl)pyridine-2-carbonitrile?
The InChIKey is DFQGIAXBJBCBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N4O/c15-6-12-1-2-13(8-16-12)18-4-3-11-5-10(9-19)7-17-14(11)18/h1-5,7-9H.
What are the key properties of 5-(5-formylpyrrolo[2,3-b]pyridin-1-yl)pyridine-2-carbonitrile?
5-(5-formylpyrrolo[2,3-b]pyridin-1-yl)pyridine-2-carbonitrile has a molecular weight of 248.25 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-formylpyrrolo[2,3-b]pyridin-1-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 163261106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).