5-chloro-3-[(6R)-3,7-dioxabicyclo[4.1.0]heptan-6-yl]pyridin-2-amine

C10H11ClN2O2 — CID 148775445

IUPAC5-chloro-3-[(6R)-3,7-dioxabicyclo[4.1.0]heptan-6-yl]pyridin-2-amine
SMILESNc1ncc(Cl)cc1[C@]12CCOCC1O2
InChIInChI=1S/C10H11ClN2O2/c11-6-3-7(9(12)13-4-6)10-1-2-14-5-8(10)15-10/h3-4,8H,1-2,5H2,(H2,12,13)/t8?,10-/m1/s1
InChIKeyOJGKKGOXEMCRMV-LHIURRSHSA-N
MW226.66 g/mol
LogP1.33
Rot. Bonds1

About 5-chloro-3-[(6R)-3,7-dioxabicyclo[4.1.0]heptan-6-yl]pyridin-2-amine

5-chloro-3-[(6R)-3,7-dioxabicyclo[4.1.0]heptan-6-yl]pyridin-2-amine (PubChem CID 148775445) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 5-chloro-3-[(6R)-3,7-dioxabicyclo[4.1.0]heptan-6-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-[(6R)-3,7-dioxabicyclo[4.1.0]heptan-6-yl]pyridin-2-amine
PubChem CID148775445
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name5-chloro-3-[(6R)-3,7-dioxabicyclo[4.1.0]heptan-6-yl]pyridin-2-amine
SMILESNc1ncc(Cl)cc1[C@]12CCOCC1O2
InChIInChI=1S/C10H11ClN2O2/c11-6-3-7(9(12)13-4-6)10-1-2-14-5-8(10)15-10/h3-4,8H,1-2,5H2,(H2,12,13)/t8?,10-/m1/s1
InChIKeyOJGKKGOXEMCRMV-LHIURRSHSA-N
XLogP1.33
TPSA60.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(6R)-3,7-dioxabicyclo[4.1.0]heptan-6-yl]pyridin-2-amine?
The IUPAC name of 5-chloro-3-[(6R)-3,7-dioxabicyclo[4.1.0]heptan-6-yl]pyridin-2-amine (CID 148775445) is 5-chloro-3-[(6R)-3,7-dioxabicyclo[4.1.0]heptan-6-yl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-[(6R)-3,7-dioxabicyclo[4.1.0]heptan-6-yl]pyridin-2-amine?
The canonical SMILES for 5-chloro-3-[(6R)-3,7-dioxabicyclo[4.1.0]heptan-6-yl]pyridin-2-amine is Nc1ncc(Cl)cc1[C@]12CCOCC1O2.
What is the InChIKey of 5-chloro-3-[(6R)-3,7-dioxabicyclo[4.1.0]heptan-6-yl]pyridin-2-amine?
The InChIKey is OJGKKGOXEMCRMV-LHIURRSHSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c11-6-3-7(9(12)13-4-6)10-1-2-14-5-8(10)15-10/h3-4,8H,1-2,5H2,(H2,12,13)/t8?,10-/m1/s1.
What are the key properties of 5-chloro-3-[(6R)-3,7-dioxabicyclo[4.1.0]heptan-6-yl]pyridin-2-amine?
5-chloro-3-[(6R)-3,7-dioxabicyclo[4.1.0]heptan-6-yl]pyridin-2-amine has a molecular weight of 226.66 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(6R)-3,7-dioxabicyclo[4.1.0]heptan-6-yl]pyridin-2-amine is sourced from PubChem (CID 148775445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).