4-pyrrolidin-2-ylpyridine-3-carbonitrile

C10H11N3 — CID 82411637

IUPAC4-pyrrolidin-2-ylpyridine-3-carbonitrile
SMILESN#Cc1cnccc1C1CCCN1
InChIInChI=1S/C10H11N3/c11-6-8-7-12-5-3-9(8)10-2-1-4-13-10/h3,5,7,10,13H,1-2,4H2
InChIKeyNHJPZQYQFZETPI-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.38
Rot. Bonds1

About 4-pyrrolidin-2-ylpyridine-3-carbonitrile

4-pyrrolidin-2-ylpyridine-3-carbonitrile (PubChem CID 82411637) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 4-pyrrolidin-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-pyrrolidin-2-ylpyridine-3-carbonitrile
PubChem CID82411637
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name4-pyrrolidin-2-ylpyridine-3-carbonitrile
SMILESN#Cc1cnccc1C1CCCN1
InChIInChI=1S/C10H11N3/c11-6-8-7-12-5-3-9(8)10-2-1-4-13-10/h3,5,7,10,13H,1-2,4H2
InChIKeyNHJPZQYQFZETPI-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2S)-piperidin-2-yl]pyridine-3-carbonitrile
CID 55263705
5-hydroxy-2-[(2S)-pyrrolidin-2-yl]benzonitrile
CID 130632788
4-pyrrolidin-3-ylpyridine-3-carbonitrile
CID 115014147
2-(3-chloro-4-pyridinyl)azepane
CID 4542495
5-[(2S)-pyrrolidin-2-yl]pyridine-2-carbonitrile
CID 55274675
4-[(2S)-pyrrolidin-2-yl]furan-3-carbonitrile
CID 131097005
2-chloro-3-pyrrolidin-2-ylbenzonitrile
CID 130043692
2-bromo-3-[(2S)-pyrrolidin-2-yl]benzonitrile
CID 130644804
4-[(2R)-pyrrolidin-2-yl]pyridine;hydrochloride
CID 171195835
4-(1,1-dioxothian-3-yl)pyridine-3-carbonitrile
CID 115041479
3-pyrrolidin-2-ylpyridine-4-carboxylic acid
CID 55295568
5-[(2S)-pyrrolidin-2-yl]isoquinoline
CID 66518641

Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-2-ylpyridine-3-carbonitrile?
The IUPAC name of 4-pyrrolidin-2-ylpyridine-3-carbonitrile (CID 82411637) is 4-pyrrolidin-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 4-pyrrolidin-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 4-pyrrolidin-2-ylpyridine-3-carbonitrile is N#Cc1cnccc1C1CCCN1.
What is the InChIKey of 4-pyrrolidin-2-ylpyridine-3-carbonitrile?
The InChIKey is NHJPZQYQFZETPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c11-6-8-7-12-5-3-9(8)10-2-1-4-13-10/h3,5,7,10,13H,1-2,4H2.
What are the key properties of 4-pyrrolidin-2-ylpyridine-3-carbonitrile?
4-pyrrolidin-2-ylpyridine-3-carbonitrile has a molecular weight of 173.22 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 82411637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).