[3-[(1S)-1-aminoethyl]-2-pyridinyl]methanol

C8H12N2O — CID 130671700

IUPAC[3-[(1S)-1-aminoethyl]-2-pyridinyl]methanol
SMILESC[C@H](N)c1cccnc1CO
InChIInChI=1S/C8H12N2O/c1-6(9)7-3-2-4-10-8(7)5-11/h2-4,6,11H,5,9H2,1H3/t6-/m0/s1
InChIKeyGDAMORDCEJEIHE-LURJTMIESA-N
MW152.20 g/mol
LogP0.59
Rot. Bonds2

About [3-[(1S)-1-aminoethyl]-2-pyridinyl]methanol

[3-[(1S)-1-aminoethyl]-2-pyridinyl]methanol (PubChem CID 130671700) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is [3-[(1S)-1-aminoethyl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-[(1S)-1-aminoethyl]-2-pyridinyl]methanol
PubChem CID130671700
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name[3-[(1S)-1-aminoethyl]-2-pyridinyl]methanol
SMILESC[C@H](N)c1cccnc1CO
InChIInChI=1S/C8H12N2O/c1-6(9)7-3-2-4-10-8(7)5-11/h2-4,6,11H,5,9H2,1H3/t6-/m0/s1
InChIKeyGDAMORDCEJEIHE-LURJTMIESA-N
XLogP0.59
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2-methyl-3-pyridinyl)ethanamine
CID 94864826
1-[3-(1-aminoethyl)-2-pyridinyl]ethanol
CID 123838969
1-[2-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 55272660
2-[[3-(1-aminoethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 114056489
CID 67272469
CID 67272469
3-[(1S)-1-aminoethyl]-N-methylpyridin-2-amine
CID 130738864
(1R)-1-[2-fluoro-4-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 107718507
[2-[(1S)-1-aminoethyl]phenyl]methanol;hydrochloride
CID 162422631
1-amino-1-(2-methoxy-3-pyridinyl)propan-2-ol
CID 55292838
1-(2-ethynyl-3-pyridinyl)ethanamine
CID 74788747
(2S)-2-amino-2-(2-methyl-3-pyridinyl)ethanol
CID 55263472
(1R)-1-quinolin-5-ylethanamine
CID 55277010

Frequently Asked Questions

What is the IUPAC name of [3-[(1S)-1-aminoethyl]-2-pyridinyl]methanol?
The IUPAC name of [3-[(1S)-1-aminoethyl]-2-pyridinyl]methanol (CID 130671700) is [3-[(1S)-1-aminoethyl]-2-pyridinyl]methanol.
What is the SMILES notation for [3-[(1S)-1-aminoethyl]-2-pyridinyl]methanol?
The canonical SMILES for [3-[(1S)-1-aminoethyl]-2-pyridinyl]methanol is C[C@H](N)c1cccnc1CO.
What is the InChIKey of [3-[(1S)-1-aminoethyl]-2-pyridinyl]methanol?
The InChIKey is GDAMORDCEJEIHE-LURJTMIESA-N. The full InChI is InChI=1S/C8H12N2O/c1-6(9)7-3-2-4-10-8(7)5-11/h2-4,6,11H,5,9H2,1H3/t6-/m0/s1.
What are the key properties of [3-[(1S)-1-aminoethyl]-2-pyridinyl]methanol?
[3-[(1S)-1-aminoethyl]-2-pyridinyl]methanol has a molecular weight of 152.20 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1S)-1-aminoethyl]-2-pyridinyl]methanol is sourced from PubChem (CID 130671700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).