5-chloro-6-[(3R)-oxolan-3-yl]oxypyridin-2-amine

C9H11ClN2O2 — CID 177179845

IUPAC5-chloro-6-[(3R)-oxolan-3-yl]oxypyridin-2-amine
SMILESNc1ccc(Cl)c(O[C@@H]2CCOC2)n1
InChIInChI=1S/C9H11ClN2O2/c10-7-1-2-8(11)12-9(7)14-6-3-4-13-5-6/h1-2,6H,3-5H2,(H2,11,12)/t6-/m1/s1
InChIKeyBGLFGGWLNMTJFS-ZCFIWIBFSA-N
MW214.65 g/mol
LogP1.48
Rot. Bonds2

About 5-chloro-6-[(3R)-oxolan-3-yl]oxypyridin-2-amine

5-chloro-6-[(3R)-oxolan-3-yl]oxypyridin-2-amine (PubChem CID 177179845) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 5-chloro-6-[(3R)-oxolan-3-yl]oxypyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[(3R)-oxolan-3-yl]oxypyridin-2-amine
PubChem CID177179845
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name5-chloro-6-[(3R)-oxolan-3-yl]oxypyridin-2-amine
SMILESNc1ccc(Cl)c(O[C@@H]2CCOC2)n1
InChIInChI=1S/C9H11ClN2O2/c10-7-1-2-8(11)12-9(7)14-6-3-4-13-5-6/h1-2,6H,3-5H2,(H2,11,12)/t6-/m1/s1
InChIKeyBGLFGGWLNMTJFS-ZCFIWIBFSA-N
XLogP1.48
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(3R)-oxolan-3-yl]oxypyridin-2-amine?
The IUPAC name of 5-chloro-6-[(3R)-oxolan-3-yl]oxypyridin-2-amine (CID 177179845) is 5-chloro-6-[(3R)-oxolan-3-yl]oxypyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[(3R)-oxolan-3-yl]oxypyridin-2-amine?
The canonical SMILES for 5-chloro-6-[(3R)-oxolan-3-yl]oxypyridin-2-amine is Nc1ccc(Cl)c(O[C@@H]2CCOC2)n1.
What is the InChIKey of 5-chloro-6-[(3R)-oxolan-3-yl]oxypyridin-2-amine?
The InChIKey is BGLFGGWLNMTJFS-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c10-7-1-2-8(11)12-9(7)14-6-3-4-13-5-6/h1-2,6H,3-5H2,(H2,11,12)/t6-/m1/s1.
What are the key properties of 5-chloro-6-[(3R)-oxolan-3-yl]oxypyridin-2-amine?
5-chloro-6-[(3R)-oxolan-3-yl]oxypyridin-2-amine has a molecular weight of 214.65 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(3R)-oxolan-3-yl]oxypyridin-2-amine is sourced from PubChem (CID 177179845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).