2-fluoro-6-[5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzaldehyde

C19H13FN2O2 — CID 123153480

IUPAC2-fluoro-6-[5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzaldehyde
SMILESCc1ccc(-c2cnc3[nH]cc(-c4cccc(F)c4C=O)c3c2)o1
InChIInChI=1S/C19H13FN2O2/c1-11-5-6-18(24-11)12-7-14-15(9-22-19(14)21-8-12)13-3-2-4-17(20)16(13)10-23/h2-10H,1H3,(H,21,22)
InChIKeyZMQYWFNQORVYKV-UHFFFAOYSA-N
MW320.32 g/mol
LogP4.75
Rot. Bonds3

About 2-fluoro-6-[5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzaldehyde

2-fluoro-6-[5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzaldehyde (PubChem CID 123153480) has the molecular formula C19H13FN2O2 and a molecular weight of 320.32 g/mol. Its IUPAC name is 2-fluoro-6-[5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzaldehyde.

Molecular Properties

Compound Name2-fluoro-6-[5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzaldehyde
PubChem CID123153480
Molecular FormulaC19H13FN2O2
Molecular Weight320.32 g/mol
Exact Mass320.10
IUPAC Name2-fluoro-6-[5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzaldehyde
SMILESCc1ccc(-c2cnc3[nH]cc(-c4cccc(F)c4C=O)c3c2)o1
InChIInChI=1S/C19H13FN2O2/c1-11-5-6-18(24-11)12-7-14-15(9-22-19(14)21-8-12)13-3-2-4-17(20)16(13)10-23/h2-10H,1H3,(H,21,22)
InChIKeyZMQYWFNQORVYKV-UHFFFAOYSA-N
XLogP4.75
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 54.75
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 2-fluoro-6-[5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzaldehyde?
The IUPAC name of 2-fluoro-6-[5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzaldehyde (CID 123153480) is 2-fluoro-6-[5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzaldehyde.
What is the SMILES notation for 2-fluoro-6-[5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzaldehyde?
The canonical SMILES for 2-fluoro-6-[5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzaldehyde is Cc1ccc(-c2cnc3[nH]cc(-c4cccc(F)c4C=O)c3c2)o1.
What is the InChIKey of 2-fluoro-6-[5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzaldehyde?
The InChIKey is ZMQYWFNQORVYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O2/c1-11-5-6-18(24-11)12-7-14-15(9-22-19(14)21-8-12)13-3-2-4-17(20)16(13)10-23/h2-10H,1H3,(H,21,22).
What are the key properties of 2-fluoro-6-[5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzaldehyde?
2-fluoro-6-[5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzaldehyde has a molecular weight of 320.32 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[5-(5-methylfuran-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzaldehyde is sourced from PubChem (CID 123153480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).