(2S)-2-amino-2-(6-methoxy-3-pyridinyl)ethanol

C8H12N2O2 — CID 55278315

IUPAC(2S)-2-amino-2-(6-methoxy-3-pyridinyl)ethanol
SMILESCOc1ccc([C@H](N)CO)cn1
InChIInChI=1S/C8H12N2O2/c1-12-8-3-2-6(4-10-8)7(9)5-11/h2-4,7,11H,5,9H2,1H3/t7-/m1/s1
InChIKeySJUXJJWKCNDGED-SSDOTTSWSA-N
MW168.20 g/mol
LogP0.08
Rot. Bonds3

About (2S)-2-amino-2-(6-methoxy-3-pyridinyl)ethanol

(2S)-2-amino-2-(6-methoxy-3-pyridinyl)ethanol (PubChem CID 55278315) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is (2S)-2-amino-2-(6-methoxy-3-pyridinyl)ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-(6-methoxy-3-pyridinyl)ethanol
PubChem CID55278315
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name(2S)-2-amino-2-(6-methoxy-3-pyridinyl)ethanol
SMILESCOc1ccc([C@H](N)CO)cn1
InChIInChI=1S/C8H12N2O2/c1-12-8-3-2-6(4-10-8)7(9)5-11/h2-4,7,11H,5,9H2,1H3/t7-/m1/s1
InChIKeySJUXJJWKCNDGED-SSDOTTSWSA-N
XLogP0.08
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(6-methoxy-3-pyridinyl)ethanol?
The IUPAC name of (2S)-2-amino-2-(6-methoxy-3-pyridinyl)ethanol (CID 55278315) is (2S)-2-amino-2-(6-methoxy-3-pyridinyl)ethanol.
What is the SMILES notation for (2S)-2-amino-2-(6-methoxy-3-pyridinyl)ethanol?
The canonical SMILES for (2S)-2-amino-2-(6-methoxy-3-pyridinyl)ethanol is COc1ccc([C@H](N)CO)cn1.
What is the InChIKey of (2S)-2-amino-2-(6-methoxy-3-pyridinyl)ethanol?
The InChIKey is SJUXJJWKCNDGED-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-12-8-3-2-6(4-10-8)7(9)5-11/h2-4,7,11H,5,9H2,1H3/t7-/m1/s1.
What are the key properties of (2S)-2-amino-2-(6-methoxy-3-pyridinyl)ethanol?
(2S)-2-amino-2-(6-methoxy-3-pyridinyl)ethanol has a molecular weight of 168.20 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(6-methoxy-3-pyridinyl)ethanol is sourced from PubChem (CID 55278315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).