2-chloro-6-(oxan-4-yl)pyridin-3-amine

C10H13ClN2O — CID 115028136

IUPAC2-chloro-6-(oxan-4-yl)pyridin-3-amine
SMILESNc1ccc(C2CCOCC2)nc1Cl
InChIInChI=1S/C10H13ClN2O/c11-10-8(12)1-2-9(13-10)7-3-5-14-6-4-7/h1-2,7H,3-6,12H2
InChIKeyPICWHXVVBPELPR-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.21
Rot. Bonds1

About 2-chloro-6-(oxan-4-yl)pyridin-3-amine

2-chloro-6-(oxan-4-yl)pyridin-3-amine (PubChem CID 115028136) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 2-chloro-6-(oxan-4-yl)pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-6-(oxan-4-yl)pyridin-3-amine
PubChem CID115028136
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name2-chloro-6-(oxan-4-yl)pyridin-3-amine
SMILESNc1ccc(C2CCOCC2)nc1Cl
InChIInChI=1S/C10H13ClN2O/c11-10-8(12)1-2-9(13-10)7-3-5-14-6-4-7/h1-2,7H,3-6,12H2
InChIKeyPICWHXVVBPELPR-UHFFFAOYSA-N
XLogP2.21
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-6-(oxan-4-yl)pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(oxan-4-yl)pyridin-3-amine?
The IUPAC name of 2-chloro-6-(oxan-4-yl)pyridin-3-amine (CID 115028136) is 2-chloro-6-(oxan-4-yl)pyridin-3-amine.
What is the SMILES notation for 2-chloro-6-(oxan-4-yl)pyridin-3-amine?
The canonical SMILES for 2-chloro-6-(oxan-4-yl)pyridin-3-amine is Nc1ccc(C2CCOCC2)nc1Cl.
What is the InChIKey of 2-chloro-6-(oxan-4-yl)pyridin-3-amine?
The InChIKey is PICWHXVVBPELPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c11-10-8(12)1-2-9(13-10)7-3-5-14-6-4-7/h1-2,7H,3-6,12H2.
What are the key properties of 2-chloro-6-(oxan-4-yl)pyridin-3-amine?
2-chloro-6-(oxan-4-yl)pyridin-3-amine has a molecular weight of 212.68 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(oxan-4-yl)pyridin-3-amine is sourced from PubChem (CID 115028136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).