4-(oxolan-3-yl)pyridin-3-amine

C9H12N2O — CID 90205841

IUPAC4-(oxolan-3-yl)pyridin-3-amine
SMILESNc1cnccc1C1CCOC1
InChIInChI=1S/C9H12N2O/c10-9-5-11-3-1-8(9)7-2-4-12-6-7/h1,3,5,7H,2,4,6,10H2
InChIKeyBQZBEBBCPLWLKW-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.17
Rot. Bonds1

About 4-(oxolan-3-yl)pyridin-3-amine

4-(oxolan-3-yl)pyridin-3-amine (PubChem CID 90205841) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 4-(oxolan-3-yl)pyridin-3-amine.

Molecular Properties

Compound Name4-(oxolan-3-yl)pyridin-3-amine
PubChem CID90205841
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name4-(oxolan-3-yl)pyridin-3-amine
SMILESNc1cnccc1C1CCOC1
InChIInChI=1S/C9H12N2O/c10-9-5-11-3-1-8(9)7-2-4-12-6-7/h1,3,5,7H,2,4,6,10H2
InChIKeyBQZBEBBCPLWLKW-UHFFFAOYSA-N
XLogP1.17
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-3-yl)pyridin-3-amine?
The IUPAC name of 4-(oxolan-3-yl)pyridin-3-amine (CID 90205841) is 4-(oxolan-3-yl)pyridin-3-amine.
What is the SMILES notation for 4-(oxolan-3-yl)pyridin-3-amine?
The canonical SMILES for 4-(oxolan-3-yl)pyridin-3-amine is Nc1cnccc1C1CCOC1.
What is the InChIKey of 4-(oxolan-3-yl)pyridin-3-amine?
The InChIKey is BQZBEBBCPLWLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c10-9-5-11-3-1-8(9)7-2-4-12-6-7/h1,3,5,7H,2,4,6,10H2.
What are the key properties of 4-(oxolan-3-yl)pyridin-3-amine?
4-(oxolan-3-yl)pyridin-3-amine has a molecular weight of 164.21 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-3-yl)pyridin-3-amine is sourced from PubChem (CID 90205841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).