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

C15H14N2O2 — CID 58087195

IUPAC3-(2,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(-c2c[nH]c3ncccc23)c(OC)c1
InChIInChI=1S/C15H14N2O2/c1-18-10-5-6-11(14(8-10)19-2)13-9-17-15-12(13)4-3-7-16-15/h3-9H,1-2H3,(H,16,17)
InChIKeyAHVZSINMAWWOTO-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.25
Rot. Bonds3

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

3-(2,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 58087195) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID58087195
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name3-(2,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(-c2c[nH]c3ncccc23)c(OC)c1
InChIInChI=1S/C15H14N2O2/c1-18-10-5-6-11(14(8-10)19-2)13-9-17-15-12(13)4-3-7-16-15/h3-9H,1-2H3,(H,16,17)
InChIKeyAHVZSINMAWWOTO-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 3-(2,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine (CID 58087195) is 3-(2,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine is COc1ccc(-c2c[nH]c3ncccc23)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is AHVZSINMAWWOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-18-10-5-6-11(14(8-10)19-2)13-9-17-15-12(13)4-3-7-16-15/h3-9H,1-2H3,(H,16,17).
What are the key properties of 3-(2,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
3-(2,4-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 3-(2,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 58087195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).