5-chloro-N-[(3S,4R)-4-ethoxyoxolan-3-yl]pyridin-2-amine

C11H15ClN2O2 — CID 122556188

IUPAC5-chloro-N-[(3S,4R)-4-ethoxyoxolan-3-yl]pyridin-2-amine
SMILESCCO[C@H]1COC[C@@H]1Nc1ccc(Cl)cn1
InChIInChI=1S/C11H15ClN2O2/c1-2-16-10-7-15-6-9(10)14-11-4-3-8(12)5-13-11/h3-5,9-10H,2,6-7H2,1H3,(H,13,14)/t9-,10-/m0/s1
InChIKeyJBTZCLDTXBDEJD-UWVGGRQHSA-N
MW242.71 g/mol
LogP1.95
Rot. Bonds4

About 5-chloro-N-[(3S,4R)-4-ethoxyoxolan-3-yl]pyridin-2-amine

5-chloro-N-[(3S,4R)-4-ethoxyoxolan-3-yl]pyridin-2-amine (PubChem CID 122556188) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 5-chloro-N-[(3S,4R)-4-ethoxyoxolan-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(3S,4R)-4-ethoxyoxolan-3-yl]pyridin-2-amine
PubChem CID122556188
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name5-chloro-N-[(3S,4R)-4-ethoxyoxolan-3-yl]pyridin-2-amine
SMILESCCO[C@H]1COC[C@@H]1Nc1ccc(Cl)cn1
InChIInChI=1S/C11H15ClN2O2/c1-2-16-10-7-15-6-9(10)14-11-4-3-8(12)5-13-11/h3-5,9-10H,2,6-7H2,1H3,(H,13,14)/t9-,10-/m0/s1
InChIKeyJBTZCLDTXBDEJD-UWVGGRQHSA-N
XLogP1.95
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3S,4R)-4-ethoxyoxolan-3-yl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-[(3S,4R)-4-ethoxyoxolan-3-yl]pyridin-2-amine (CID 122556188) is 5-chloro-N-[(3S,4R)-4-ethoxyoxolan-3-yl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-[(3S,4R)-4-ethoxyoxolan-3-yl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-[(3S,4R)-4-ethoxyoxolan-3-yl]pyridin-2-amine is CCO[C@H]1COC[C@@H]1Nc1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[(3S,4R)-4-ethoxyoxolan-3-yl]pyridin-2-amine?
The InChIKey is JBTZCLDTXBDEJD-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-2-16-10-7-15-6-9(10)14-11-4-3-8(12)5-13-11/h3-5,9-10H,2,6-7H2,1H3,(H,13,14)/t9-,10-/m0/s1.
What are the key properties of 5-chloro-N-[(3S,4R)-4-ethoxyoxolan-3-yl]pyridin-2-amine?
5-chloro-N-[(3S,4R)-4-ethoxyoxolan-3-yl]pyridin-2-amine has a molecular weight of 242.71 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3S,4R)-4-ethoxyoxolan-3-yl]pyridin-2-amine is sourced from PubChem (CID 122556188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).