2-amino-3-pyridin-4-ylpropan-1-ol;dihydrochloride

C8H14Cl2N2O — CID 75494115

IUPAC2-amino-3-pyridin-4-ylpropan-1-ol;dihydrochloride
SMILESCl.Cl.NC(CO)Cc1ccncc1
InChIInChI=1S/C8H12N2O.2ClH/c9-8(6-11)5-7-1-3-10-4-2-7;;/h1-4,8,11H,5-6,9H2;2*1H
InChIKeyPXIYFUYAQNMJTK-UHFFFAOYSA-N
MW225.12 g/mol
LogP0.79
Rot. Bonds3

About 2-amino-3-pyridin-4-ylpropan-1-ol;dihydrochloride

2-amino-3-pyridin-4-ylpropan-1-ol;dihydrochloride (PubChem CID 75494115) has the molecular formula C8H14Cl2N2O and a molecular weight of 225.12 g/mol. Its IUPAC name is 2-amino-3-pyridin-4-ylpropan-1-ol;dihydrochloride.

Molecular Properties

Compound Name2-amino-3-pyridin-4-ylpropan-1-ol;dihydrochloride
PubChem CID75494115
Molecular FormulaC8H14Cl2N2O
Molecular Weight225.12 g/mol
Exact Mass224.05
IUPAC Name2-amino-3-pyridin-4-ylpropan-1-ol;dihydrochloride
SMILESCl.Cl.NC(CO)Cc1ccncc1
InChIInChI=1S/C8H12N2O.2ClH/c9-8(6-11)5-7-1-3-10-4-2-7;;/h1-4,8,11H,5-6,9H2;2*1H
InChIKeyPXIYFUYAQNMJTK-UHFFFAOYSA-N
XLogP0.79
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.12
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-pyridin-4-ylpropan-1-ol;dihydrochloride?
The IUPAC name of 2-amino-3-pyridin-4-ylpropan-1-ol;dihydrochloride (CID 75494115) is 2-amino-3-pyridin-4-ylpropan-1-ol;dihydrochloride.
What is the SMILES notation for 2-amino-3-pyridin-4-ylpropan-1-ol;dihydrochloride?
The canonical SMILES for 2-amino-3-pyridin-4-ylpropan-1-ol;dihydrochloride is Cl.Cl.NC(CO)Cc1ccncc1.
What is the InChIKey of 2-amino-3-pyridin-4-ylpropan-1-ol;dihydrochloride?
The InChIKey is PXIYFUYAQNMJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O.2ClH/c9-8(6-11)5-7-1-3-10-4-2-7;;/h1-4,8,11H,5-6,9H2;2*1H.
What are the key properties of 2-amino-3-pyridin-4-ylpropan-1-ol;dihydrochloride?
2-amino-3-pyridin-4-ylpropan-1-ol;dihydrochloride has a molecular weight of 225.12 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-pyridin-4-ylpropan-1-ol;dihydrochloride is sourced from PubChem (CID 75494115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).