(1R)-1-(2-amino-3-pyridinyl)propane-1,3-diol

C8H12N2O2 — CID 125425283

IUPAC(1R)-1-(2-amino-3-pyridinyl)propane-1,3-diol
SMILESNc1ncccc1[C@H](O)CCO
InChIInChI=1S/C8H12N2O2/c9-8-6(2-1-4-10-8)7(12)3-5-11/h1-2,4,7,11-12H,3,5H2,(H2,9,10)/t7-/m1/s1
InChIKeyYIULDWCVXKBXLC-SSDOTTSWSA-N
MW168.20 g/mol
LogP0.08
Rot. Bonds3

About (1R)-1-(2-amino-3-pyridinyl)propane-1,3-diol

(1R)-1-(2-amino-3-pyridinyl)propane-1,3-diol (PubChem CID 125425283) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is (1R)-1-(2-amino-3-pyridinyl)propane-1,3-diol.

Molecular Properties

Compound Name(1R)-1-(2-amino-3-pyridinyl)propane-1,3-diol
PubChem CID125425283
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name(1R)-1-(2-amino-3-pyridinyl)propane-1,3-diol
SMILESNc1ncccc1[C@H](O)CCO
InChIInChI=1S/C8H12N2O2/c9-8-6(2-1-4-10-8)7(12)3-5-11/h1-2,4,7,11-12H,3,5H2,(H2,9,10)/t7-/m1/s1
InChIKeyYIULDWCVXKBXLC-SSDOTTSWSA-N
XLogP0.08
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 ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-amino-3-(2-amino-3-pyridinyl)propan-1-ol;hydrochloride
CID 171211346
1-(2-chloro-3-pyridinyl)propane-1,3-diol
CID 59846570
(4S)-4-amino-4-(2-amino-3-pyridinyl)butan-1-ol
CID 171230946
2-[[(1R)-1-(2-amino-3-pyridinyl)ethyl]amino]ethanol
CID 165405702
1-(2-amino-3-pyridinyl)-2-(2-bromophenyl)sulfanylethanol
CID 66144443
(1R)-1-amino-1-(2-amino-3-pyridinyl)propan-2-ol
CID 130961552
(1R,2R)-2-amino-1-(2-amino-3-pyridinyl)butan-1-ol
CID 130848050
1-(2-amino-3-pyridinyl)-4-(methylamino)butane-1,2-diol
CID 171889665
(1S,2S)-1-(2-amino-3-pyridinyl)propane-1,2-diamine
CID 131122997
1-(2-amino-3-pyridinyl)-2-ethylbutane-1,2-diol
CID 103449229
3-(1-hydrazinyl-4-methylpentyl)pyridin-2-amine
CID 105207559
(2-amino-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanol
CID 65425477

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-amino-3-pyridinyl)propane-1,3-diol?
The IUPAC name of (1R)-1-(2-amino-3-pyridinyl)propane-1,3-diol (CID 125425283) is (1R)-1-(2-amino-3-pyridinyl)propane-1,3-diol.
What is the SMILES notation for (1R)-1-(2-amino-3-pyridinyl)propane-1,3-diol?
The canonical SMILES for (1R)-1-(2-amino-3-pyridinyl)propane-1,3-diol is Nc1ncccc1[C@H](O)CCO.
What is the InChIKey of (1R)-1-(2-amino-3-pyridinyl)propane-1,3-diol?
The InChIKey is YIULDWCVXKBXLC-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H12N2O2/c9-8-6(2-1-4-10-8)7(12)3-5-11/h1-2,4,7,11-12H,3,5H2,(H2,9,10)/t7-/m1/s1.
What are the key properties of (1R)-1-(2-amino-3-pyridinyl)propane-1,3-diol?
(1R)-1-(2-amino-3-pyridinyl)propane-1,3-diol has a molecular weight of 168.20 g/mol, XLogP of 0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-amino-3-pyridinyl)propane-1,3-diol is sourced from PubChem (CID 125425283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).