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

C12H9N3O — CID 162652251

IUPAC1-(cyclopropanecarbonyl)pyrrolo[3,2-c]pyridine-3-carbonitrile
SMILESN#Cc1cn(C(=O)C2CC2)c2ccncc12
InChIInChI=1S/C12H9N3O/c13-5-9-7-15(12(16)8-1-2-8)11-3-4-14-6-10(9)11/h3-4,6-8H,1-2H2
InChIKeyCHDVBAXRBNEPRE-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.96
Rot. Bonds1

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

1-(cyclopropanecarbonyl)pyrrolo[3,2-c]pyridine-3-carbonitrile (PubChem CID 162652251) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)pyrrolo[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)pyrrolo[3,2-c]pyridine-3-carbonitrile
PubChem CID162652251
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name1-(cyclopropanecarbonyl)pyrrolo[3,2-c]pyridine-3-carbonitrile
SMILESN#Cc1cn(C(=O)C2CC2)c2ccncc12
InChIInChI=1S/C12H9N3O/c13-5-9-7-15(12(16)8-1-2-8)11-3-4-14-6-10(9)11/h3-4,6-8H,1-2H2
InChIKeyCHDVBAXRBNEPRE-UHFFFAOYSA-N
XLogP1.96
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)pyrrolo[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 1-(cyclopropanecarbonyl)pyrrolo[3,2-c]pyridine-3-carbonitrile (CID 162652251) is 1-(cyclopropanecarbonyl)pyrrolo[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 1-(cyclopropanecarbonyl)pyrrolo[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 1-(cyclopropanecarbonyl)pyrrolo[3,2-c]pyridine-3-carbonitrile is N#Cc1cn(C(=O)C2CC2)c2ccncc12.
What is the InChIKey of 1-(cyclopropanecarbonyl)pyrrolo[3,2-c]pyridine-3-carbonitrile?
The InChIKey is CHDVBAXRBNEPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c13-5-9-7-15(12(16)8-1-2-8)11-3-4-14-6-10(9)11/h3-4,6-8H,1-2H2.
What are the key properties of 1-(cyclopropanecarbonyl)pyrrolo[3,2-c]pyridine-3-carbonitrile?
1-(cyclopropanecarbonyl)pyrrolo[3,2-c]pyridine-3-carbonitrile has a molecular weight of 211.22 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)pyrrolo[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 162652251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).