3-(2-amino-5-chloro-3-pyridinyl)-2,2,5,5-tetramethyloxolan-3-ol

C13H19ClN2O2 — CID 79928000

IUPAC3-(2-amino-5-chloro-3-pyridinyl)-2,2,5,5-tetramethyloxolan-3-ol
SMILESCC1(C)CC(O)(c2cc(Cl)cnc2N)C(C)(C)O1
InChIInChI=1S/C13H19ClN2O2/c1-11(2)7-13(17,12(3,4)18-11)9-5-8(14)6-16-10(9)15/h5-6,17H,7H2,1-4H3,(H2,15,16)
InChIKeyMCOREXWWZXALIQ-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.48
Rot. Bonds1

About 3-(2-amino-5-chloro-3-pyridinyl)-2,2,5,5-tetramethyloxolan-3-ol

3-(2-amino-5-chloro-3-pyridinyl)-2,2,5,5-tetramethyloxolan-3-ol (PubChem CID 79928000) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 3-(2-amino-5-chloro-3-pyridinyl)-2,2,5,5-tetramethyloxolan-3-ol.

Molecular Properties

Compound Name3-(2-amino-5-chloro-3-pyridinyl)-2,2,5,5-tetramethyloxolan-3-ol
PubChem CID79928000
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name3-(2-amino-5-chloro-3-pyridinyl)-2,2,5,5-tetramethyloxolan-3-ol
SMILESCC1(C)CC(O)(c2cc(Cl)cnc2N)C(C)(C)O1
InChIInChI=1S/C13H19ClN2O2/c1-11(2)7-13(17,12(3,4)18-11)9-5-8(14)6-16-10(9)15/h5-6,17H,7H2,1-4H3,(H2,15,16)
InChIKeyMCOREXWWZXALIQ-UHFFFAOYSA-N
XLogP2.48
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-5-chloro-3-pyridinyl)-2,2,5,5-tetramethyloxolan-3-ol?
The IUPAC name of 3-(2-amino-5-chloro-3-pyridinyl)-2,2,5,5-tetramethyloxolan-3-ol (CID 79928000) is 3-(2-amino-5-chloro-3-pyridinyl)-2,2,5,5-tetramethyloxolan-3-ol.
What is the SMILES notation for 3-(2-amino-5-chloro-3-pyridinyl)-2,2,5,5-tetramethyloxolan-3-ol?
The canonical SMILES for 3-(2-amino-5-chloro-3-pyridinyl)-2,2,5,5-tetramethyloxolan-3-ol is CC1(C)CC(O)(c2cc(Cl)cnc2N)C(C)(C)O1.
What is the InChIKey of 3-(2-amino-5-chloro-3-pyridinyl)-2,2,5,5-tetramethyloxolan-3-ol?
The InChIKey is MCOREXWWZXALIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-11(2)7-13(17,12(3,4)18-11)9-5-8(14)6-16-10(9)15/h5-6,17H,7H2,1-4H3,(H2,15,16).
What are the key properties of 3-(2-amino-5-chloro-3-pyridinyl)-2,2,5,5-tetramethyloxolan-3-ol?
3-(2-amino-5-chloro-3-pyridinyl)-2,2,5,5-tetramethyloxolan-3-ol has a molecular weight of 270.76 g/mol, XLogP of 2.48, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5-chloro-3-pyridinyl)-2,2,5,5-tetramethyloxolan-3-ol is sourced from PubChem (CID 79928000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).