2-amino-2-pyridin-3-ylethanol;dihydrochloride

C7H12Cl2N2O — CID 53407568

IUPAC2-amino-2-pyridin-3-ylethanol;dihydrochloride
SMILESCl.Cl.NC(CO)c1cccnc1
InChIInChI=1S/C7H10N2O.2ClH/c8-7(5-10)6-2-1-3-9-4-6;;/h1-4,7,10H,5,8H2;2*1H
InChIKeyCEJDBJMKRRFMGK-UHFFFAOYSA-N
MW211.09 g/mol
LogP0.92
Rot. Bonds2

About 2-amino-2-pyridin-3-ylethanol;dihydrochloride

2-amino-2-pyridin-3-ylethanol;dihydrochloride (PubChem CID 53407568) has the molecular formula C7H12Cl2N2O and a molecular weight of 211.09 g/mol. Its IUPAC name is 2-amino-2-pyridin-3-ylethanol;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-pyridin-3-ylethanol;dihydrochloride
PubChem CID53407568
Molecular FormulaC7H12Cl2N2O
Molecular Weight211.09 g/mol
Exact Mass210.03
IUPAC Name2-amino-2-pyridin-3-ylethanol;dihydrochloride
SMILESCl.Cl.NC(CO)c1cccnc1
InChIInChI=1S/C7H10N2O.2ClH/c8-7(5-10)6-2-1-3-9-4-6;;/h1-4,7,10H,5,8H2;2*1H
InChIKeyCEJDBJMKRRFMGK-UHFFFAOYSA-N
XLogP0.92
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.09
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-pyridin-3-ylethanol;dihydrochloride?
The IUPAC name of 2-amino-2-pyridin-3-ylethanol;dihydrochloride (CID 53407568) is 2-amino-2-pyridin-3-ylethanol;dihydrochloride.
What is the SMILES notation for 2-amino-2-pyridin-3-ylethanol;dihydrochloride?
The canonical SMILES for 2-amino-2-pyridin-3-ylethanol;dihydrochloride is Cl.Cl.NC(CO)c1cccnc1.
What is the InChIKey of 2-amino-2-pyridin-3-ylethanol;dihydrochloride?
The InChIKey is CEJDBJMKRRFMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O.2ClH/c8-7(5-10)6-2-1-3-9-4-6;;/h1-4,7,10H,5,8H2;2*1H.
What are the key properties of 2-amino-2-pyridin-3-ylethanol;dihydrochloride?
2-amino-2-pyridin-3-ylethanol;dihydrochloride has a molecular weight of 211.09 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-pyridin-3-ylethanol;dihydrochloride is sourced from PubChem (CID 53407568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).