2-pyrrolidin-1-ylpyridine-3-carbonitrile

C10H11N3 — CID 6502099

IUPAC2-pyrrolidin-1-ylpyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCCC1
InChIInChI=1S/C10H11N3/c11-8-9-4-3-5-12-10(9)13-6-1-2-7-13/h3-5H,1-2,6-7H2
InChIKeyBHRCNCKRRFUYAS-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.55
Rot. Bonds1

About 2-pyrrolidin-1-ylpyridine-3-carbonitrile

2-pyrrolidin-1-ylpyridine-3-carbonitrile (PubChem CID 6502099) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-pyrrolidin-1-ylpyridine-3-carbonitrile
PubChem CID6502099
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name2-pyrrolidin-1-ylpyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCCC1
InChIInChI=1S/C10H11N3/c11-8-9-4-3-5-12-10(9)13-6-1-2-7-13/h3-5H,1-2,6-7H2
InChIKeyBHRCNCKRRFUYAS-UHFFFAOYSA-N
XLogP1.55
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-ylpyridine-3-carbonitrile?
The IUPAC name of 2-pyrrolidin-1-ylpyridine-3-carbonitrile (CID 6502099) is 2-pyrrolidin-1-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-pyrrolidin-1-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-pyrrolidin-1-ylpyridine-3-carbonitrile is N#Cc1cccnc1N1CCCC1.
What is the InChIKey of 2-pyrrolidin-1-ylpyridine-3-carbonitrile?
The InChIKey is BHRCNCKRRFUYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c11-8-9-4-3-5-12-10(9)13-6-1-2-7-13/h3-5H,1-2,6-7H2.
What are the key properties of 2-pyrrolidin-1-ylpyridine-3-carbonitrile?
2-pyrrolidin-1-ylpyridine-3-carbonitrile has a molecular weight of 173.22 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ylpyridine-3-carbonitrile is sourced from PubChem (CID 6502099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).