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

C10H11ClN2O2 — CID 129248383

IUPAC5-chloro-3-(3,7-dioxabicyclo[4.1.0]heptan-6-yl)pyridin-2-amine
SMILESNc1ncc(Cl)cc1C12CCOCC1O2
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)
InChIKeyOJGKKGOXEMCRMV-UHFFFAOYSA-N
MW226.66 g/mol
LogP1.33
Rot. Bonds1

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

5-chloro-3-(3,7-dioxabicyclo[4.1.0]heptan-6-yl)pyridin-2-amine (PubChem CID 129248383) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 5-chloro-3-(3,7-dioxabicyclo[4.1.0]heptan-6-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-(3,7-dioxabicyclo[4.1.0]heptan-6-yl)pyridin-2-amine
PubChem CID129248383
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name5-chloro-3-(3,7-dioxabicyclo[4.1.0]heptan-6-yl)pyridin-2-amine
SMILESNc1ncc(Cl)cc1C12CCOCC1O2
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)
InChIKeyOJGKKGOXEMCRMV-UHFFFAOYSA-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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Related Compounds

1-(2-Amino-5-chloro-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 103147434
1-(2-Amino-5-chloro-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)ethanol
CID 103473895
1-(2-Amino-5-chloro-3-pyridinyl)-3-(2,2-difluoroethoxy)propan-1-ol
CID 113780833
5-(4-Tert-butylmorpholin-2-yl)-3-chloropyridin-2-amine
CID 19892026
1'-benzyl-7-chloro-1H-spiro[furo[3,4-c]pyridine-3,4'-piperidine]-6-amine
CID 68902320
5-chloro-3-(methoxymethyl)-2-Pyridinamine
CID 79569390
3-Chloro-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-2-pyridinamine
CID 90286617
5-chloro-3-(3,6-dihydro-2H-pyran-4-yl)pyridin-2-amine
CID 129248475
4-(2-Amino-5-chloro-3-pyridinyl)oxan-3-ol
CID 129248548
(2S,7R)-14-chloro-5,8-dioxa-10,12-diazatricyclo[9.4.0.02,7]pentadeca-1(11),12,14-trien-9-one
CID 129271600
(3R,4S)-4-(2-amino-5-chloro-3-pyridinyl)oxan-3-ol
CID 129272077
5-Chloro-3-(4-methyl-1,3-dioxan-4-yl)pyridin-2-amine
CID 129272079

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(3,7-dioxabicyclo[4.1.0]heptan-6-yl)pyridin-2-amine?
The IUPAC name of 5-chloro-3-(3,7-dioxabicyclo[4.1.0]heptan-6-yl)pyridin-2-amine (CID 129248383) is 5-chloro-3-(3,7-dioxabicyclo[4.1.0]heptan-6-yl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-(3,7-dioxabicyclo[4.1.0]heptan-6-yl)pyridin-2-amine?
The canonical SMILES for 5-chloro-3-(3,7-dioxabicyclo[4.1.0]heptan-6-yl)pyridin-2-amine is Nc1ncc(Cl)cc1C12CCOCC1O2.
What is the InChIKey of 5-chloro-3-(3,7-dioxabicyclo[4.1.0]heptan-6-yl)pyridin-2-amine?
The InChIKey is OJGKKGOXEMCRMV-UHFFFAOYSA-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).
What are the key properties of 5-chloro-3-(3,7-dioxabicyclo[4.1.0]heptan-6-yl)pyridin-2-amine?
5-chloro-3-(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-(3,7-dioxabicyclo[4.1.0]heptan-6-yl)pyridin-2-amine is sourced from PubChem (CID 129248383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).