4-methoxy-2-pyrrolo[2,3-b]pyridin-1-ylbenzonitrile

C15H11N3O — CID 132516671

IUPAC4-methoxy-2-pyrrolo[2,3-b]pyridin-1-ylbenzonitrile
SMILESCOc1ccc(C#N)c(-n2ccc3cccnc32)c1
InChIInChI=1S/C15H11N3O/c1-19-13-5-4-12(10-16)14(9-13)18-8-6-11-3-2-7-17-15(11)18/h2-9H,1H3
InChIKeyYBFXFWYDHVEYOB-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.91
Rot. Bonds2

About 4-methoxy-2-pyrrolo[2,3-b]pyridin-1-ylbenzonitrile

4-methoxy-2-pyrrolo[2,3-b]pyridin-1-ylbenzonitrile (PubChem CID 132516671) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is 4-methoxy-2-pyrrolo[2,3-b]pyridin-1-ylbenzonitrile.

Molecular Properties

Compound Name4-methoxy-2-pyrrolo[2,3-b]pyridin-1-ylbenzonitrile
PubChem CID132516671
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name4-methoxy-2-pyrrolo[2,3-b]pyridin-1-ylbenzonitrile
SMILESCOc1ccc(C#N)c(-n2ccc3cccnc32)c1
InChIInChI=1S/C15H11N3O/c1-19-13-5-4-12(10-16)14(9-13)18-8-6-11-3-2-7-17-15(11)18/h2-9H,1H3
InChIKeyYBFXFWYDHVEYOB-UHFFFAOYSA-N
XLogP2.91
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-pyrrolo[2,3-b]pyridin-1-ylbenzonitrile?
The IUPAC name of 4-methoxy-2-pyrrolo[2,3-b]pyridin-1-ylbenzonitrile (CID 132516671) is 4-methoxy-2-pyrrolo[2,3-b]pyridin-1-ylbenzonitrile.
What is the SMILES notation for 4-methoxy-2-pyrrolo[2,3-b]pyridin-1-ylbenzonitrile?
The canonical SMILES for 4-methoxy-2-pyrrolo[2,3-b]pyridin-1-ylbenzonitrile is COc1ccc(C#N)c(-n2ccc3cccnc32)c1.
What is the InChIKey of 4-methoxy-2-pyrrolo[2,3-b]pyridin-1-ylbenzonitrile?
The InChIKey is YBFXFWYDHVEYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O/c1-19-13-5-4-12(10-16)14(9-13)18-8-6-11-3-2-7-17-15(11)18/h2-9H,1H3.
What are the key properties of 4-methoxy-2-pyrrolo[2,3-b]pyridin-1-ylbenzonitrile?
4-methoxy-2-pyrrolo[2,3-b]pyridin-1-ylbenzonitrile has a molecular weight of 249.27 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-pyrrolo[2,3-b]pyridin-1-ylbenzonitrile is sourced from PubChem (CID 132516671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).