5-chloro-2-[(3R)-oxolan-3-yl]oxy-N-propan-2-ylpyridin-3-amine

C12H17ClN2O2 — CID 137449494

IUPAC5-chloro-2-[(3R)-oxolan-3-yl]oxy-N-propan-2-ylpyridin-3-amine
SMILESCC(C)Nc1cc(Cl)cnc1O[C@@H]1CCOC1
InChIInChI=1S/C12H17ClN2O2/c1-8(2)15-11-5-9(13)6-14-12(11)17-10-3-4-16-7-10/h5-6,8,10,15H,3-4,7H2,1-2H3/t10-/m1/s1
InChIKeyKXFUAAVIEBXHPG-SNVBAGLBSA-N
MW256.73 g/mol
LogP2.72
Rot. Bonds4

About 5-chloro-2-[(3R)-oxolan-3-yl]oxy-N-propan-2-ylpyridin-3-amine

5-chloro-2-[(3R)-oxolan-3-yl]oxy-N-propan-2-ylpyridin-3-amine (PubChem CID 137449494) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 5-chloro-2-[(3R)-oxolan-3-yl]oxy-N-propan-2-ylpyridin-3-amine.

Molecular Properties

Compound Name5-chloro-2-[(3R)-oxolan-3-yl]oxy-N-propan-2-ylpyridin-3-amine
PubChem CID137449494
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name5-chloro-2-[(3R)-oxolan-3-yl]oxy-N-propan-2-ylpyridin-3-amine
SMILESCC(C)Nc1cc(Cl)cnc1O[C@@H]1CCOC1
InChIInChI=1S/C12H17ClN2O2/c1-8(2)15-11-5-9(13)6-14-12(11)17-10-3-4-16-7-10/h5-6,8,10,15H,3-4,7H2,1-2H3/t10-/m1/s1
InChIKeyKXFUAAVIEBXHPG-SNVBAGLBSA-N
XLogP2.72
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(3R)-oxolan-3-yl]oxy-N-propan-2-ylpyridin-3-amine?
The IUPAC name of 5-chloro-2-[(3R)-oxolan-3-yl]oxy-N-propan-2-ylpyridin-3-amine (CID 137449494) is 5-chloro-2-[(3R)-oxolan-3-yl]oxy-N-propan-2-ylpyridin-3-amine.
What is the SMILES notation for 5-chloro-2-[(3R)-oxolan-3-yl]oxy-N-propan-2-ylpyridin-3-amine?
The canonical SMILES for 5-chloro-2-[(3R)-oxolan-3-yl]oxy-N-propan-2-ylpyridin-3-amine is CC(C)Nc1cc(Cl)cnc1O[C@@H]1CCOC1.
What is the InChIKey of 5-chloro-2-[(3R)-oxolan-3-yl]oxy-N-propan-2-ylpyridin-3-amine?
The InChIKey is KXFUAAVIEBXHPG-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-8(2)15-11-5-9(13)6-14-12(11)17-10-3-4-16-7-10/h5-6,8,10,15H,3-4,7H2,1-2H3/t10-/m1/s1.
What are the key properties of 5-chloro-2-[(3R)-oxolan-3-yl]oxy-N-propan-2-ylpyridin-3-amine?
5-chloro-2-[(3R)-oxolan-3-yl]oxy-N-propan-2-ylpyridin-3-amine has a molecular weight of 256.73 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(3R)-oxolan-3-yl]oxy-N-propan-2-ylpyridin-3-amine is sourced from PubChem (CID 137449494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).