(2S)-2-amino-2-[6-(hydroxymethyl)-3-pyridinyl]ethanol

C8H12N2O2 — CID 55263220

IUPAC(2S)-2-amino-2-[6-(hydroxymethyl)-3-pyridinyl]ethanol
SMILESN[C@H](CO)c1ccc(CO)nc1
InChIInChI=1S/C8H12N2O2/c9-8(5-12)6-1-2-7(4-11)10-3-6/h1-3,8,11-12H,4-5,9H2/t8-/m1/s1
InChIKeySCXUATNCUJMPPM-MRVPVSSYSA-N
MW168.20 g/mol
LogP-0.43
Rot. Bonds3

About (2S)-2-amino-2-[6-(hydroxymethyl)-3-pyridinyl]ethanol

(2S)-2-amino-2-[6-(hydroxymethyl)-3-pyridinyl]ethanol (PubChem CID 55263220) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is (2S)-2-amino-2-[6-(hydroxymethyl)-3-pyridinyl]ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-[6-(hydroxymethyl)-3-pyridinyl]ethanol
PubChem CID55263220
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name(2S)-2-amino-2-[6-(hydroxymethyl)-3-pyridinyl]ethanol
SMILESN[C@H](CO)c1ccc(CO)nc1
InChIInChI=1S/C8H12N2O2/c9-8(5-12)6-1-2-7(4-11)10-3-6/h1-3,8,11-12H,4-5,9H2/t8-/m1/s1
InChIKeySCXUATNCUJMPPM-MRVPVSSYSA-N
XLogP-0.43
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[6-(hydroxymethyl)-3-pyridinyl]ethanol?
The IUPAC name of (2S)-2-amino-2-[6-(hydroxymethyl)-3-pyridinyl]ethanol (CID 55263220) is (2S)-2-amino-2-[6-(hydroxymethyl)-3-pyridinyl]ethanol.
What is the SMILES notation for (2S)-2-amino-2-[6-(hydroxymethyl)-3-pyridinyl]ethanol?
The canonical SMILES for (2S)-2-amino-2-[6-(hydroxymethyl)-3-pyridinyl]ethanol is N[C@H](CO)c1ccc(CO)nc1.
What is the InChIKey of (2S)-2-amino-2-[6-(hydroxymethyl)-3-pyridinyl]ethanol?
The InChIKey is SCXUATNCUJMPPM-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H12N2O2/c9-8(5-12)6-1-2-7(4-11)10-3-6/h1-3,8,11-12H,4-5,9H2/t8-/m1/s1.
What are the key properties of (2S)-2-amino-2-[6-(hydroxymethyl)-3-pyridinyl]ethanol?
(2S)-2-amino-2-[6-(hydroxymethyl)-3-pyridinyl]ethanol has a molecular weight of 168.20 g/mol, XLogP of -0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-[6-(hydroxymethyl)-3-pyridinyl]ethanol is sourced from PubChem (CID 55263220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).