3-amino-3-[2-(hydroxymethyl)-4-pyridinyl]propan-1-ol

C9H14N2O2 — CID 84768737

IUPAC3-amino-3-[2-(hydroxymethyl)-4-pyridinyl]propan-1-ol
SMILESNC(CCO)c1ccnc(CO)c1
InChIInChI=1S/C9H14N2O2/c10-9(2-4-12)7-1-3-11-8(5-7)6-13/h1,3,5,9,12-13H,2,4,6,10H2
InChIKeyVAQOVMZVJARNCM-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.04
Rot. Bonds4

About 3-amino-3-[2-(hydroxymethyl)-4-pyridinyl]propan-1-ol

3-amino-3-[2-(hydroxymethyl)-4-pyridinyl]propan-1-ol (PubChem CID 84768737) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-amino-3-[2-(hydroxymethyl)-4-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name3-amino-3-[2-(hydroxymethyl)-4-pyridinyl]propan-1-ol
PubChem CID84768737
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-amino-3-[2-(hydroxymethyl)-4-pyridinyl]propan-1-ol
SMILESNC(CCO)c1ccnc(CO)c1
InChIInChI=1S/C9H14N2O2/c10-9(2-4-12)7-1-3-11-8(5-7)6-13/h1,3,5,9,12-13H,2,4,6,10H2
InChIKeyVAQOVMZVJARNCM-UHFFFAOYSA-N
XLogP-0.04
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-amino-3-[2-(hydroxymethyl)-4-pyridinyl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-amino-3-(2-amino-4-pyridinyl)propan-1-ol
CID 55293388
[4-(1-aminopropan-2-yl)-2-pyridinyl]methanol
CID 84765095
3-amino-3-pyridin-4-ylpropan-1-ol;dihydrochloride
CID 122156680
(4-butan-2-yl-2-pyridinyl)methanol
CID 155375839
3-amino-3-[4-fluoro-3-(hydroxymethyl)phenyl]propan-1-ol
CID 55271579
(3R)-3-amino-3-[4-fluoro-3-(hydroxymethyl)phenyl]propan-1-ol
CID 55272189
3-amino-3-(3-pyrimidin-2-ylphenyl)propan-1-ol
CID 91024005
5-(1-amino-3-hydroxypropyl)benzene-1,2,3-triol;hydrochloride
CID 170874409
(3R)-3-amino-3-(3,5-dichlorophenyl)propan-1-ol;hydrochloride
CID 171202547
(2S)-2-amino-2-(2-amino-4-pyridinyl)ethanol
CID 55274821
(3R)-3-amino-3-(3,5-difluorophenyl)propan-1-ol;hydrochloride
CID 171204525
(2R)-2-amino-2-(2-fluoro-4-pyridinyl)ethanol
CID 130829259

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[2-(hydroxymethyl)-4-pyridinyl]propan-1-ol?
The IUPAC name of 3-amino-3-[2-(hydroxymethyl)-4-pyridinyl]propan-1-ol (CID 84768737) is 3-amino-3-[2-(hydroxymethyl)-4-pyridinyl]propan-1-ol.
What is the SMILES notation for 3-amino-3-[2-(hydroxymethyl)-4-pyridinyl]propan-1-ol?
The canonical SMILES for 3-amino-3-[2-(hydroxymethyl)-4-pyridinyl]propan-1-ol is NC(CCO)c1ccnc(CO)c1.
What is the InChIKey of 3-amino-3-[2-(hydroxymethyl)-4-pyridinyl]propan-1-ol?
The InChIKey is VAQOVMZVJARNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c10-9(2-4-12)7-1-3-11-8(5-7)6-13/h1,3,5,9,12-13H,2,4,6,10H2.
What are the key properties of 3-amino-3-[2-(hydroxymethyl)-4-pyridinyl]propan-1-ol?
3-amino-3-[2-(hydroxymethyl)-4-pyridinyl]propan-1-ol has a molecular weight of 182.22 g/mol, XLogP of -0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[2-(hydroxymethyl)-4-pyridinyl]propan-1-ol is sourced from PubChem (CID 84768737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).