3-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzaldehyde

C19H13N3O — CID 122421773

IUPAC3-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzaldehyde
SMILESO=Cc1cccc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)c1
InChIInChI=1S/C19H13N3O/c23-12-13-2-1-3-15(8-13)16-9-17-18(11-22-19(17)21-10-16)14-4-6-20-7-5-14/h1-12H,(H,21,22)
InChIKeyVKYFKHLBJDPKTQ-UHFFFAOYSA-N
MW299.33 g/mol
LogP4.10
Rot. Bonds3

About 3-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzaldehyde

3-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzaldehyde (PubChem CID 122421773) has the molecular formula C19H13N3O and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzaldehyde.

Molecular Properties

Compound Name3-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzaldehyde
PubChem CID122421773
Molecular FormulaC19H13N3O
Molecular Weight299.33 g/mol
Exact Mass299.11
IUPAC Name3-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzaldehyde
SMILESO=Cc1cccc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)c1
InChIInChI=1S/C19H13N3O/c23-12-13-2-1-3-15(8-13)16-9-17-18(11-22-19(17)21-10-16)14-4-6-20-7-5-14/h1-12H,(H,21,22)
InChIKeyVKYFKHLBJDPKTQ-UHFFFAOYSA-N
XLogP4.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzaldehyde?
The IUPAC name of 3-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzaldehyde (CID 122421773) is 3-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzaldehyde.
What is the SMILES notation for 3-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzaldehyde?
The canonical SMILES for 3-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzaldehyde is O=Cc1cccc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)c1.
What is the InChIKey of 3-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzaldehyde?
The InChIKey is VKYFKHLBJDPKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O/c23-12-13-2-1-3-15(8-13)16-9-17-18(11-22-19(17)21-10-16)14-4-6-20-7-5-14/h1-12H,(H,21,22).
What are the key properties of 3-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzaldehyde?
3-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzaldehyde has a molecular weight of 299.33 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzaldehyde is sourced from PubChem (CID 122421773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).