6-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyridin-3-ol

C13H15N3O — CID 81402421

IUPAC6-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyridin-3-ol
SMILESC[C@H](NCc1ccc(O)cn1)c1ccccn1
InChIInChI=1S/C13H15N3O/c1-10(13-4-2-3-7-14-13)15-8-11-5-6-12(17)9-16-11/h2-7,9-10,15,17H,8H2,1H3/t10-/m0/s1
InChIKeyKELCURSLQCLYEH-JTQLQIEISA-N
MW229.28 g/mol
LogP2.03
Rot. Bonds4

About 6-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyridin-3-ol

6-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyridin-3-ol (PubChem CID 81402421) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 6-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyridin-3-ol
PubChem CID81402421
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name6-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyridin-3-ol
SMILESC[C@H](NCc1ccc(O)cn1)c1ccccn1
InChIInChI=1S/C13H15N3O/c1-10(13-4-2-3-7-14-13)15-8-11-5-6-12(17)9-16-11/h2-7,9-10,15,17H,8H2,1H3/t10-/m0/s1
InChIKeyKELCURSLQCLYEH-JTQLQIEISA-N
XLogP2.03
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]pyridin-3-ol
CID 81402144
6-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]pyridin-3-ol
CID 81405183
6-[[[(1R)-1-(2-methoxyphenyl)ethyl]amino]methyl]pyridin-3-ol
CID 81396851
(1R)-1-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81407076
N-[(6-methyl-2-pyridinyl)methyl]-1-pyridin-2-ylethanamine
CID 62321588
(1R)-1-pyridin-2-yl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 81402120
(1S)-1-pyridin-2-yl-N-(thiadiazol-4-ylmethyl)ethanamine
CID 81401864
6-[(4-methylhexan-2-ylamino)methyl]pyridin-3-ol
CID 79794471
1-(1-pyridin-2-ylethylamino)propan-2-ol
CID 43499405
4-(1-pyridin-2-ylethylamino)phenol
CID 43742707
6-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]pyridin-3-ol
CID 79775807
(1R)-N-[(2-ethylphenyl)methyl]-1-pyridin-2-ylethanamine
CID 81401879

Frequently Asked Questions

What is the IUPAC name of 6-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyridin-3-ol?
The IUPAC name of 6-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyridin-3-ol (CID 81402421) is 6-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyridin-3-ol.
What is the SMILES notation for 6-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyridin-3-ol?
The canonical SMILES for 6-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyridin-3-ol is C[C@H](NCc1ccc(O)cn1)c1ccccn1.
What is the InChIKey of 6-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyridin-3-ol?
The InChIKey is KELCURSLQCLYEH-JTQLQIEISA-N. The full InChI is InChI=1S/C13H15N3O/c1-10(13-4-2-3-7-14-13)15-8-11-5-6-12(17)9-16-11/h2-7,9-10,15,17H,8H2,1H3/t10-/m0/s1.
What are the key properties of 6-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyridin-3-ol?
6-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyridin-3-ol has a molecular weight of 229.28 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyridin-3-ol is sourced from PubChem (CID 81402421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).