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

C18H12N2O2 — CID 175416952

IUPAC3-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzaldehyde
SMILESO=Cc1cccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)c1
InChIInChI=1S/C18H12N2O2/c21-10-12-2-1-3-13(6-12)15-7-16-17(14-4-5-22-11-14)9-20-18(16)19-8-15/h1-11H,(H,19,20)
InChIKeyJSKOEABSBCHEKL-UHFFFAOYSA-N
MW288.31 g/mol
LogP4.30
Rot. Bonds3

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

3-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzaldehyde (PubChem CID 175416952) has the molecular formula C18H12N2O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 3-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzaldehyde.

Molecular Properties

Compound Name3-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzaldehyde
PubChem CID175416952
Molecular FormulaC18H12N2O2
Molecular Weight288.31 g/mol
Exact Mass288.09
IUPAC Name3-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzaldehyde
SMILESO=Cc1cccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)c1
InChIInChI=1S/C18H12N2O2/c21-10-12-2-1-3-13(6-12)15-7-16-17(14-4-5-22-11-14)9-20-18(16)19-8-15/h1-11H,(H,19,20)
InChIKeyJSKOEABSBCHEKL-UHFFFAOYSA-N
XLogP4.30
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzaldehyde
CID 122421773
3-(furan-3-yl)-5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 10379453
3-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol
CID 155519853
5-(3-chloro-4-fluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine
CID 10086910
3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 11218431
5-(2,5-dimethylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine
CID 59811910
N-cyclohexyl-2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
CID 59812101
4-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzaldehyde
CID 154700345
(E)-3-[3-(3-furo[2,3-b]pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-methylprop-2-enamide
CID 122421964
5-(3-fluorophenyl)-3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 118562635
3-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenol
CID 59699898
2,3-dihydropyrrol-1-yl-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone
CID 143099156

Frequently Asked Questions

What is the IUPAC name of 3-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzaldehyde?
The IUPAC name of 3-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzaldehyde (CID 175416952) is 3-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzaldehyde.
What is the SMILES notation for 3-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzaldehyde?
The canonical SMILES for 3-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzaldehyde is O=Cc1cccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)c1.
What is the InChIKey of 3-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzaldehyde?
The InChIKey is JSKOEABSBCHEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2/c21-10-12-2-1-3-13(6-12)15-7-16-17(14-4-5-22-11-14)9-20-18(16)19-8-15/h1-11H,(H,19,20).
What are the key properties of 3-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzaldehyde?
3-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzaldehyde has a molecular weight of 288.31 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzaldehyde is sourced from PubChem (CID 175416952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).