2-amino-2-(pyridin-2-ylmethyl)propane-1,3-diol;dihydrochloride

C9H16Cl2N2O2 — CID 23111151

IUPAC2-amino-2-(pyridin-2-ylmethyl)propane-1,3-diol;dihydrochloride
SMILESCl.Cl.NC(CO)(CO)Cc1ccccn1
InChIInChI=1S/C9H14N2O2.2ClH/c10-9(6-12,7-13)5-8-3-1-2-4-11-8;;/h1-4,12-13H,5-7,10H2;2*1H
InChIKeyHTWCGELZHYUFTJ-UHFFFAOYSA-N
MW255.14 g/mol
LogP0.15
Rot. Bonds4

About 2-amino-2-(pyridin-2-ylmethyl)propane-1,3-diol;dihydrochloride

2-amino-2-(pyridin-2-ylmethyl)propane-1,3-diol;dihydrochloride (PubChem CID 23111151) has the molecular formula C9H16Cl2N2O2 and a molecular weight of 255.14 g/mol. Its IUPAC name is 2-amino-2-(pyridin-2-ylmethyl)propane-1,3-diol;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-(pyridin-2-ylmethyl)propane-1,3-diol;dihydrochloride
PubChem CID23111151
Molecular FormulaC9H16Cl2N2O2
Molecular Weight255.14 g/mol
Exact Mass254.06
IUPAC Name2-amino-2-(pyridin-2-ylmethyl)propane-1,3-diol;dihydrochloride
SMILESCl.Cl.NC(CO)(CO)Cc1ccccn1
InChIInChI=1S/C9H14N2O2.2ClH/c10-9(6-12,7-13)5-8-3-1-2-4-11-8;;/h1-4,12-13H,5-7,10H2;2*1H
InChIKeyHTWCGELZHYUFTJ-UHFFFAOYSA-N
XLogP0.15
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.14
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-amino-3-methyl-4-pyridin-2-ylbutan-1-ol
CID 135132634
2-(hydroxymethyl)-2-(pyridin-2-ylmethoxy)propane-1,3-diol
CID 150698152
2-amino-2-(hydroxymethyl)propane-1,3-diol;dichlororuthenium;2-pyridin-2-ylpyridine
CID 87929066
pyridin-2-ylmethanol;vanadium
CID 176962038
ethane;pyridin-2-ylmethanol
CID 91461493
(2S)-2-amino-2-(dimethylamino)-3-pyridin-2-ylpropanamide
CID 67278744
(3R)-3-amino-2,2-dimethyl-4-pyridin-2-ylbutan-1-ol
CID 135132625
2-amino-3-pyridin-2-ylpropan-1-ol;hydrochloride
CID 75525879
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-pyridin-2-ylacetamide
CID 107845294
2-(fluoromethyl)pyridine;hydroiodide
CID 173061202
ethane;pyridin-2-ylmethanamine
CID 90791011
2-(pyridin-2-ylmethylsulfanylmethyl)pyridine
CID 12047870

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(pyridin-2-ylmethyl)propane-1,3-diol;dihydrochloride?
The IUPAC name of 2-amino-2-(pyridin-2-ylmethyl)propane-1,3-diol;dihydrochloride (CID 23111151) is 2-amino-2-(pyridin-2-ylmethyl)propane-1,3-diol;dihydrochloride.
What is the SMILES notation for 2-amino-2-(pyridin-2-ylmethyl)propane-1,3-diol;dihydrochloride?
The canonical SMILES for 2-amino-2-(pyridin-2-ylmethyl)propane-1,3-diol;dihydrochloride is Cl.Cl.NC(CO)(CO)Cc1ccccn1.
What is the InChIKey of 2-amino-2-(pyridin-2-ylmethyl)propane-1,3-diol;dihydrochloride?
The InChIKey is HTWCGELZHYUFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2.2ClH/c10-9(6-12,7-13)5-8-3-1-2-4-11-8;;/h1-4,12-13H,5-7,10H2;2*1H.
What are the key properties of 2-amino-2-(pyridin-2-ylmethyl)propane-1,3-diol;dihydrochloride?
2-amino-2-(pyridin-2-ylmethyl)propane-1,3-diol;dihydrochloride has a molecular weight of 255.14 g/mol, XLogP of 0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(pyridin-2-ylmethyl)propane-1,3-diol;dihydrochloride is sourced from PubChem (CID 23111151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).