7-acetyl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile

C10H7N3O — CID 175939594

IUPAC7-acetyl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile
SMILESCC(=O)c1cc(C#N)nc2cc[nH]c12
InChIInChI=1S/C10H7N3O/c1-6(14)8-4-7(5-11)13-9-2-3-12-10(8)9/h2-4,12H,1H3
InChIKeyHRQLYOMUJJWWPS-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.64
Rot. Bonds1

About 7-acetyl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile

7-acetyl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile (PubChem CID 175939594) has the molecular formula C10H7N3O and a molecular weight of 185.19 g/mol. Its IUPAC name is 7-acetyl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name7-acetyl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile
PubChem CID175939594
Molecular FormulaC10H7N3O
Molecular Weight185.19 g/mol
Exact Mass185.06
IUPAC Name7-acetyl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile
SMILESCC(=O)c1cc(C#N)nc2cc[nH]c12
InChIInChI=1S/C10H7N3O/c1-6(14)8-4-7(5-11)13-9-2-3-12-10(8)9/h2-4,12H,1H3
InChIKeyHRQLYOMUJJWWPS-UHFFFAOYSA-N
XLogP1.64
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-acetyl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile?
The IUPAC name of 7-acetyl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile (CID 175939594) is 7-acetyl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile.
What is the SMILES notation for 7-acetyl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile?
The canonical SMILES for 7-acetyl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile is CC(=O)c1cc(C#N)nc2cc[nH]c12.
What is the InChIKey of 7-acetyl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile?
The InChIKey is HRQLYOMUJJWWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O/c1-6(14)8-4-7(5-11)13-9-2-3-12-10(8)9/h2-4,12H,1H3.
What are the key properties of 7-acetyl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile?
7-acetyl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile has a molecular weight of 185.19 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile is sourced from PubChem (CID 175939594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).