1-(oxiran-2-yl)pyrrolo[2,3-c]pyridine-3-carbonitrile

C10H7N3O — CID 130220460

IUPAC1-(oxiran-2-yl)pyrrolo[2,3-c]pyridine-3-carbonitrile
SMILESN#Cc1cn(C2CO2)c2cnccc12
InChIInChI=1S/C10H7N3O/c11-3-7-5-13(10-6-14-10)9-4-12-2-1-8(7)9/h1-2,4-5,10H,6H2
InChIKeyXPZXLXBLAKVQMW-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.44
Rot. Bonds1

About 1-(oxiran-2-yl)pyrrolo[2,3-c]pyridine-3-carbonitrile

1-(oxiran-2-yl)pyrrolo[2,3-c]pyridine-3-carbonitrile (PubChem CID 130220460) has the molecular formula C10H7N3O and a molecular weight of 185.19 g/mol. Its IUPAC name is 1-(oxiran-2-yl)pyrrolo[2,3-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(oxiran-2-yl)pyrrolo[2,3-c]pyridine-3-carbonitrile
PubChem CID130220460
Molecular FormulaC10H7N3O
Molecular Weight185.19 g/mol
Exact Mass185.06
IUPAC Name1-(oxiran-2-yl)pyrrolo[2,3-c]pyridine-3-carbonitrile
SMILESN#Cc1cn(C2CO2)c2cnccc12
InChIInChI=1S/C10H7N3O/c11-3-7-5-13(10-6-14-10)9-4-12-2-1-8(7)9/h1-2,4-5,10H,6H2
InChIKeyXPZXLXBLAKVQMW-UHFFFAOYSA-N
XLogP1.44
TPSA54.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(oxiran-2-yl)pyrrolo[2,3-c]pyridine-3-carbonitrile?
The IUPAC name of 1-(oxiran-2-yl)pyrrolo[2,3-c]pyridine-3-carbonitrile (CID 130220460) is 1-(oxiran-2-yl)pyrrolo[2,3-c]pyridine-3-carbonitrile.
What is the SMILES notation for 1-(oxiran-2-yl)pyrrolo[2,3-c]pyridine-3-carbonitrile?
The canonical SMILES for 1-(oxiran-2-yl)pyrrolo[2,3-c]pyridine-3-carbonitrile is N#Cc1cn(C2CO2)c2cnccc12.
What is the InChIKey of 1-(oxiran-2-yl)pyrrolo[2,3-c]pyridine-3-carbonitrile?
The InChIKey is XPZXLXBLAKVQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O/c11-3-7-5-13(10-6-14-10)9-4-12-2-1-8(7)9/h1-2,4-5,10H,6H2.
What are the key properties of 1-(oxiran-2-yl)pyrrolo[2,3-c]pyridine-3-carbonitrile?
1-(oxiran-2-yl)pyrrolo[2,3-c]pyridine-3-carbonitrile has a molecular weight of 185.19 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxiran-2-yl)pyrrolo[2,3-c]pyridine-3-carbonitrile is sourced from PubChem (CID 130220460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).