4-pyrrolidin-3-ylpyridine-3-carbonitrile

C10H11N3 — CID 115014147

IUPAC4-pyrrolidin-3-ylpyridine-3-carbonitrile
SMILESN#Cc1cnccc1C1CCNC1
InChIInChI=1S/C10H11N3/c11-5-9-7-13-4-2-10(9)8-1-3-12-6-8/h2,4,7-8,12H,1,3,6H2
InChIKeySDKLIONSLPCSOU-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.03
Rot. Bonds1

About 4-pyrrolidin-3-ylpyridine-3-carbonitrile

4-pyrrolidin-3-ylpyridine-3-carbonitrile (PubChem CID 115014147) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 4-pyrrolidin-3-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-pyrrolidin-3-ylpyridine-3-carbonitrile
PubChem CID115014147
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name4-pyrrolidin-3-ylpyridine-3-carbonitrile
SMILESN#Cc1cnccc1C1CCNC1
InChIInChI=1S/C10H11N3/c11-5-9-7-13-4-2-10(9)8-1-3-12-6-8/h2,4,7-8,12H,1,3,6H2
InChIKeySDKLIONSLPCSOU-UHFFFAOYSA-N
XLogP1.03
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-3-ylpyridine-3-carbonitrile?
The IUPAC name of 4-pyrrolidin-3-ylpyridine-3-carbonitrile (CID 115014147) is 4-pyrrolidin-3-ylpyridine-3-carbonitrile.
What is the SMILES notation for 4-pyrrolidin-3-ylpyridine-3-carbonitrile?
The canonical SMILES for 4-pyrrolidin-3-ylpyridine-3-carbonitrile is N#Cc1cnccc1C1CCNC1.
What is the InChIKey of 4-pyrrolidin-3-ylpyridine-3-carbonitrile?
The InChIKey is SDKLIONSLPCSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c11-5-9-7-13-4-2-10(9)8-1-3-12-6-8/h2,4,7-8,12H,1,3,6H2.
What are the key properties of 4-pyrrolidin-3-ylpyridine-3-carbonitrile?
4-pyrrolidin-3-ylpyridine-3-carbonitrile has a molecular weight of 173.22 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-3-ylpyridine-3-carbonitrile is sourced from PubChem (CID 115014147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).