6-(oxolan-3-ylamino)pyridine-2-carbonitrile

C10H11N3O — CID 80713825

IUPAC6-(oxolan-3-ylamino)pyridine-2-carbonitrile
SMILESN#Cc1cccc(NC2CCOC2)n1
InChIInChI=1S/C10H11N3O/c11-6-8-2-1-3-10(12-8)13-9-4-5-14-7-9/h1-3,9H,4-5,7H2,(H,12,13)
InChIKeyUERMTAQEMNVFBP-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.15
Rot. Bonds2

About 6-(oxolan-3-ylamino)pyridine-2-carbonitrile

6-(oxolan-3-ylamino)pyridine-2-carbonitrile (PubChem CID 80713825) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 6-(oxolan-3-ylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(oxolan-3-ylamino)pyridine-2-carbonitrile
PubChem CID80713825
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name6-(oxolan-3-ylamino)pyridine-2-carbonitrile
SMILESN#Cc1cccc(NC2CCOC2)n1
InChIInChI=1S/C10H11N3O/c11-6-8-2-1-3-10(12-8)13-9-4-5-14-7-9/h1-3,9H,4-5,7H2,(H,12,13)
InChIKeyUERMTAQEMNVFBP-UHFFFAOYSA-N
XLogP1.15
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 ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(oxolan-3-ylamino)pyridine-2-carbonitrile?
The IUPAC name of 6-(oxolan-3-ylamino)pyridine-2-carbonitrile (CID 80713825) is 6-(oxolan-3-ylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(oxolan-3-ylamino)pyridine-2-carbonitrile?
The canonical SMILES for 6-(oxolan-3-ylamino)pyridine-2-carbonitrile is N#Cc1cccc(NC2CCOC2)n1.
What is the InChIKey of 6-(oxolan-3-ylamino)pyridine-2-carbonitrile?
The InChIKey is UERMTAQEMNVFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c11-6-8-2-1-3-10(12-8)13-9-4-5-14-7-9/h1-3,9H,4-5,7H2,(H,12,13).
What are the key properties of 6-(oxolan-3-ylamino)pyridine-2-carbonitrile?
6-(oxolan-3-ylamino)pyridine-2-carbonitrile has a molecular weight of 189.22 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxolan-3-ylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 80713825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).