1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde

C13H8ClN3O — CID 156810814

IUPAC1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde
SMILESO=Cc1cnc2c(ccn2-c2cncc(Cl)c2)c1
InChIInChI=1S/C13H8ClN3O/c14-11-4-12(7-15-6-11)17-2-1-10-3-9(8-18)5-16-13(10)17/h1-8H
InChIKeyUSMUTGBIUVOAOB-UHFFFAOYSA-N
MW257.68 g/mol
LogP2.89
Rot. Bonds2

About 1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde

1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde (PubChem CID 156810814) has the molecular formula C13H8ClN3O and a molecular weight of 257.68 g/mol. Its IUPAC name is 1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde
PubChem CID156810814
Molecular FormulaC13H8ClN3O
Molecular Weight257.68 g/mol
Exact Mass257.04
IUPAC Name1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde
SMILESO=Cc1cnc2c(ccn2-c2cncc(Cl)c2)c1
InChIInChI=1S/C13H8ClN3O/c14-11-4-12(7-15-6-11)17-2-1-10-3-9(8-18)5-16-13(10)17/h1-8H
InChIKeyUSMUTGBIUVOAOB-UHFFFAOYSA-N
XLogP2.89
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde?
The IUPAC name of 1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde (CID 156810814) is 1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde.
What is the SMILES notation for 1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde?
The canonical SMILES for 1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde is O=Cc1cnc2c(ccn2-c2cncc(Cl)c2)c1.
What is the InChIKey of 1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde?
The InChIKey is USMUTGBIUVOAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O/c14-11-4-12(7-15-6-11)17-2-1-10-3-9(8-18)5-16-13(10)17/h1-8H.
What are the key properties of 1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde?
1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde has a molecular weight of 257.68 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde is sourced from PubChem (CID 156810814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).