[6-[(1S)-1-aminoethyl]-3-pyridinyl]methanol

C8H12N2O — CID 131171813

IUPAC[6-[(1S)-1-aminoethyl]-3-pyridinyl]methanol
SMILESC[C@H](N)c1ccc(CO)cn1
InChIInChI=1S/C8H12N2O/c1-6(9)8-3-2-7(5-11)4-10-8/h2-4,6,11H,5,9H2,1H3/t6-/m0/s1
InChIKeyNEICMVXVNCNJIQ-LURJTMIESA-N
MW152.20 g/mol
LogP0.59
Rot. Bonds2

About [6-[(1S)-1-aminoethyl]-3-pyridinyl]methanol

[6-[(1S)-1-aminoethyl]-3-pyridinyl]methanol (PubChem CID 131171813) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is [6-[(1S)-1-aminoethyl]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[(1S)-1-aminoethyl]-3-pyridinyl]methanol
PubChem CID131171813
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name[6-[(1S)-1-aminoethyl]-3-pyridinyl]methanol
SMILESC[C@H](N)c1ccc(CO)cn1
InChIInChI=1S/C8H12N2O/c1-6(9)8-3-2-7(5-11)4-10-8/h2-4,6,11H,5,9H2,1H3/t6-/m0/s1
InChIKeyNEICMVXVNCNJIQ-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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Frequently Asked Questions

What is the IUPAC name of [6-[(1S)-1-aminoethyl]-3-pyridinyl]methanol?
The IUPAC name of [6-[(1S)-1-aminoethyl]-3-pyridinyl]methanol (CID 131171813) is [6-[(1S)-1-aminoethyl]-3-pyridinyl]methanol.
What is the SMILES notation for [6-[(1S)-1-aminoethyl]-3-pyridinyl]methanol?
The canonical SMILES for [6-[(1S)-1-aminoethyl]-3-pyridinyl]methanol is C[C@H](N)c1ccc(CO)cn1.
What is the InChIKey of [6-[(1S)-1-aminoethyl]-3-pyridinyl]methanol?
The InChIKey is NEICMVXVNCNJIQ-LURJTMIESA-N. The full InChI is InChI=1S/C8H12N2O/c1-6(9)8-3-2-7(5-11)4-10-8/h2-4,6,11H,5,9H2,1H3/t6-/m0/s1.
What are the key properties of [6-[(1S)-1-aminoethyl]-3-pyridinyl]methanol?
[6-[(1S)-1-aminoethyl]-3-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 [6-[(1S)-1-aminoethyl]-3-pyridinyl]methanol is sourced from PubChem (CID 131171813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).