2-amino-1-pyridin-2-ylpropane-1,3-diol;dihydrochloride

C8H14Cl2N2O2 — CID 126809383

IUPAC2-amino-1-pyridin-2-ylpropane-1,3-diol;dihydrochloride
SMILESCl.Cl.NC(CO)C(O)c1ccccn1
InChIInChI=1S/C8H12N2O2.2ClH/c9-6(5-11)8(12)7-3-1-2-4-10-7;;/h1-4,6,8,11-12H,5,9H2;2*1H
InChIKeyKBSSOFQXYWUDFM-UHFFFAOYSA-N
MW241.12 g/mol
LogP0.28
Rot. Bonds3

About 2-amino-1-pyridin-2-ylpropane-1,3-diol;dihydrochloride

2-amino-1-pyridin-2-ylpropane-1,3-diol;dihydrochloride (PubChem CID 126809383) has the molecular formula C8H14Cl2N2O2 and a molecular weight of 241.12 g/mol. Its IUPAC name is 2-amino-1-pyridin-2-ylpropane-1,3-diol;dihydrochloride.

Molecular Properties

Compound Name2-amino-1-pyridin-2-ylpropane-1,3-diol;dihydrochloride
PubChem CID126809383
Molecular FormulaC8H14Cl2N2O2
Molecular Weight241.12 g/mol
Exact Mass240.04
IUPAC Name2-amino-1-pyridin-2-ylpropane-1,3-diol;dihydrochloride
SMILESCl.Cl.NC(CO)C(O)c1ccccn1
InChIInChI=1S/C8H12N2O2.2ClH/c9-6(5-11)8(12)7-3-1-2-4-10-7;;/h1-4,6,8,11-12H,5,9H2;2*1H
InChIKeyKBSSOFQXYWUDFM-UHFFFAOYSA-N
XLogP0.28
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.12
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-pyridin-2-ylpropane-1,3-diol;dihydrochloride?
The IUPAC name of 2-amino-1-pyridin-2-ylpropane-1,3-diol;dihydrochloride (CID 126809383) is 2-amino-1-pyridin-2-ylpropane-1,3-diol;dihydrochloride.
What is the SMILES notation for 2-amino-1-pyridin-2-ylpropane-1,3-diol;dihydrochloride?
The canonical SMILES for 2-amino-1-pyridin-2-ylpropane-1,3-diol;dihydrochloride is Cl.Cl.NC(CO)C(O)c1ccccn1.
What is the InChIKey of 2-amino-1-pyridin-2-ylpropane-1,3-diol;dihydrochloride?
The InChIKey is KBSSOFQXYWUDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2.2ClH/c9-6(5-11)8(12)7-3-1-2-4-10-7;;/h1-4,6,8,11-12H,5,9H2;2*1H.
What are the key properties of 2-amino-1-pyridin-2-ylpropane-1,3-diol;dihydrochloride?
2-amino-1-pyridin-2-ylpropane-1,3-diol;dihydrochloride has a molecular weight of 241.12 g/mol, XLogP of 0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-pyridin-2-ylpropane-1,3-diol;dihydrochloride is sourced from PubChem (CID 126809383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).