6-pyrrolidin-3-yloxypyridine-3-carbonitrile

C10H11N3O — CID 62349494

IUPAC6-pyrrolidin-3-yloxypyridine-3-carbonitrile
SMILESN#Cc1ccc(OC2CCNC2)nc1
InChIInChI=1S/C10H11N3O/c11-5-8-1-2-10(13-6-8)14-9-3-4-12-7-9/h1-2,6,9,12H,3-4,7H2
InChIKeyCPSSBANJTRMOOC-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.69
Rot. Bonds2

About 6-pyrrolidin-3-yloxypyridine-3-carbonitrile

6-pyrrolidin-3-yloxypyridine-3-carbonitrile (PubChem CID 62349494) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 6-pyrrolidin-3-yloxypyridine-3-carbonitrile.

Molecular Properties

Compound Name6-pyrrolidin-3-yloxypyridine-3-carbonitrile
PubChem CID62349494
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name6-pyrrolidin-3-yloxypyridine-3-carbonitrile
SMILESN#Cc1ccc(OC2CCNC2)nc1
InChIInChI=1S/C10H11N3O/c11-5-8-1-2-10(13-6-8)14-9-3-4-12-7-9/h1-2,6,9,12H,3-4,7H2
InChIKeyCPSSBANJTRMOOC-UHFFFAOYSA-N
XLogP0.69
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-pyrrolidin-3-yloxypyridine-3-carbonitrile?
The IUPAC name of 6-pyrrolidin-3-yloxypyridine-3-carbonitrile (CID 62349494) is 6-pyrrolidin-3-yloxypyridine-3-carbonitrile.
What is the SMILES notation for 6-pyrrolidin-3-yloxypyridine-3-carbonitrile?
The canonical SMILES for 6-pyrrolidin-3-yloxypyridine-3-carbonitrile is N#Cc1ccc(OC2CCNC2)nc1.
What is the InChIKey of 6-pyrrolidin-3-yloxypyridine-3-carbonitrile?
The InChIKey is CPSSBANJTRMOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c11-5-8-1-2-10(13-6-8)14-9-3-4-12-7-9/h1-2,6,9,12H,3-4,7H2.
What are the key properties of 6-pyrrolidin-3-yloxypyridine-3-carbonitrile?
6-pyrrolidin-3-yloxypyridine-3-carbonitrile has a molecular weight of 189.22 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrrolidin-3-yloxypyridine-3-carbonitrile is sourced from PubChem (CID 62349494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).