1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine-7-carbonitrile

C13H15N3O — CID 11535948

IUPAC1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine-7-carbonitrile
SMILESCOCCn1c(C)c(C)c2ccnc(C#N)c21
InChIInChI=1S/C13H15N3O/c1-9-10(2)16(6-7-17-3)13-11(9)4-5-15-12(13)8-14/h4-5H,6-7H2,1-3H3
InChIKeyIVLAAJLTENNZJQ-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.17
Rot. Bonds3

About 1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine-7-carbonitrile

1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine-7-carbonitrile (PubChem CID 11535948) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine-7-carbonitrile.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine-7-carbonitrile
PubChem CID11535948
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine-7-carbonitrile
SMILESCOCCn1c(C)c(C)c2ccnc(C#N)c21
InChIInChI=1S/C13H15N3O/c1-9-10(2)16(6-7-17-3)13-11(9)4-5-15-12(13)8-14/h4-5H,6-7H2,1-3H3
InChIKeyIVLAAJLTENNZJQ-UHFFFAOYSA-N
XLogP2.17
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine-7-carbonitrile?
The IUPAC name of 1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine-7-carbonitrile (CID 11535948) is 1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine-7-carbonitrile.
What is the SMILES notation for 1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine-7-carbonitrile?
The canonical SMILES for 1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine-7-carbonitrile is COCCn1c(C)c(C)c2ccnc(C#N)c21.
What is the InChIKey of 1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine-7-carbonitrile?
The InChIKey is IVLAAJLTENNZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-10(2)16(6-7-17-3)13-11(9)4-5-15-12(13)8-14/h4-5H,6-7H2,1-3H3.
What are the key properties of 1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine-7-carbonitrile?
1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine-7-carbonitrile has a molecular weight of 229.28 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine-7-carbonitrile is sourced from PubChem (CID 11535948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).