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

C10H13ClN2O2 — CID 115474519

IUPAC6-chloro-2-(oxan-4-yloxy)pyridin-3-amine
SMILESNc1ccc(Cl)nc1OC1CCOCC1
InChIInChI=1S/C10H13ClN2O2/c11-9-2-1-8(12)10(13-9)15-7-3-5-14-6-4-7/h1-2,7H,3-6,12H2
InChIKeyKQWUJJOGISMTAT-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.88
Rot. Bonds2

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

6-chloro-2-(oxan-4-yloxy)pyridin-3-amine (PubChem CID 115474519) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 6-chloro-2-(oxan-4-yloxy)pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-2-(oxan-4-yloxy)pyridin-3-amine
PubChem CID115474519
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name6-chloro-2-(oxan-4-yloxy)pyridin-3-amine
SMILESNc1ccc(Cl)nc1OC1CCOCC1
InChIInChI=1S/C10H13ClN2O2/c11-9-2-1-8(12)10(13-9)15-7-3-5-14-6-4-7/h1-2,7H,3-6,12H2
InChIKeyKQWUJJOGISMTAT-UHFFFAOYSA-N
XLogP1.88
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(oxan-4-yloxy)pyridin-3-amine?
The IUPAC name of 6-chloro-2-(oxan-4-yloxy)pyridin-3-amine (CID 115474519) is 6-chloro-2-(oxan-4-yloxy)pyridin-3-amine.
What is the SMILES notation for 6-chloro-2-(oxan-4-yloxy)pyridin-3-amine?
The canonical SMILES for 6-chloro-2-(oxan-4-yloxy)pyridin-3-amine is Nc1ccc(Cl)nc1OC1CCOCC1.
What is the InChIKey of 6-chloro-2-(oxan-4-yloxy)pyridin-3-amine?
The InChIKey is KQWUJJOGISMTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c11-9-2-1-8(12)10(13-9)15-7-3-5-14-6-4-7/h1-2,7H,3-6,12H2.
What are the key properties of 6-chloro-2-(oxan-4-yloxy)pyridin-3-amine?
6-chloro-2-(oxan-4-yloxy)pyridin-3-amine has a molecular weight of 228.68 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(oxan-4-yloxy)pyridin-3-amine is sourced from PubChem (CID 115474519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).