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

C17H13N3O — CID 56671909

IUPAC4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline
SMILESNc1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)cc1
InChIInChI=1S/C17H13N3O/c18-14-3-1-11(2-4-14)13-7-15-16(12-5-6-21-10-12)9-20-17(15)19-8-13/h1-10H,18H2,(H,19,20)
InChIKeyLZFOUSCUHHOHBV-UHFFFAOYSA-N
MW275.31 g/mol
LogP4.07
Rot. Bonds2

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

4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline (PubChem CID 56671909) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline.

Molecular Properties

Compound Name4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline
PubChem CID56671909
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline
SMILESNc1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)cc1
InChIInChI=1S/C17H13N3O/c18-14-3-1-11(2-4-14)13-7-15-16(12-5-6-21-10-12)9-20-17(15)19-8-13/h1-10H,18H2,(H,19,20)
InChIKeyLZFOUSCUHHOHBV-UHFFFAOYSA-N
XLogP4.07
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline?
The IUPAC name of 4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline (CID 56671909) is 4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline.
What is the SMILES notation for 4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline?
The canonical SMILES for 4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline is Nc1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)cc1.
What is the InChIKey of 4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline?
The InChIKey is LZFOUSCUHHOHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c18-14-3-1-11(2-4-14)13-7-15-16(12-5-6-21-10-12)9-20-17(15)19-8-13/h1-10H,18H2,(H,19,20).
What are the key properties of 4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline?
4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline has a molecular weight of 275.31 g/mol, XLogP of 4.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline is sourced from PubChem (CID 56671909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).