5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine

C15H14N2O2 — CID 10149230

IUPAC5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(-c2cnc3[nH]ccc3c2)cc1OC
InChIInChI=1S/C15H14N2O2/c1-18-13-4-3-10(8-14(13)19-2)12-7-11-5-6-16-15(11)17-9-12/h3-9H,1-2H3,(H,16,17)
InChIKeyHWVGSSNVHSEYLQ-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.25
Rot. Bonds3

About 5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine

5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 10149230) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID10149230
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(-c2cnc3[nH]ccc3c2)cc1OC
InChIInChI=1S/C15H14N2O2/c1-18-13-4-3-10(8-14(13)19-2)12-7-11-5-6-16-15(11)17-9-12/h3-9H,1-2H3,(H,16,17)
InChIKeyHWVGSSNVHSEYLQ-UHFFFAOYSA-N
XLogP3.25
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine (CID 10149230) is 5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine is COc1ccc(-c2cnc3[nH]ccc3c2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is HWVGSSNVHSEYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-18-13-4-3-10(8-14(13)19-2)12-7-11-5-6-16-15(11)17-9-12/h3-9H,1-2H3,(H,16,17).
What are the key properties of 5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 254.29 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 10149230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).