(2S)-2-amino-2-pyridin-2-ylethanol;dihydrochloride

C7H12Cl2N2O — CID 67033506

IUPAC(2S)-2-amino-2-pyridin-2-ylethanol;dihydrochloride
SMILESCl.Cl.N[C@H](CO)c1ccccn1
InChIInChI=1S/C7H10N2O.2ClH/c8-6(5-10)7-3-1-2-4-9-7;;/h1-4,6,10H,5,8H2;2*1H/t6-;;/m1../s1
InChIKeyCHZFBNDZYOIRDZ-QYCVXMPOSA-N
MW211.09 g/mol
LogP0.92
Rot. Bonds2

About (2S)-2-amino-2-pyridin-2-ylethanol;dihydrochloride

(2S)-2-amino-2-pyridin-2-ylethanol;dihydrochloride (PubChem CID 67033506) has the molecular formula C7H12Cl2N2O and a molecular weight of 211.09 g/mol. Its IUPAC name is (2S)-2-amino-2-pyridin-2-ylethanol;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-2-pyridin-2-ylethanol;dihydrochloride
PubChem CID67033506
Molecular FormulaC7H12Cl2N2O
Molecular Weight211.09 g/mol
Exact Mass210.03
IUPAC Name(2S)-2-amino-2-pyridin-2-ylethanol;dihydrochloride
SMILESCl.Cl.N[C@H](CO)c1ccccn1
InChIInChI=1S/C7H10N2O.2ClH/c8-6(5-10)7-3-1-2-4-9-7;;/h1-4,6,10H,5,8H2;2*1H/t6-;;/m1../s1
InChIKeyCHZFBNDZYOIRDZ-QYCVXMPOSA-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 (2S)-2-amino-2-pyridin-2-ylethanol;dihydrochloride?
The IUPAC name of (2S)-2-amino-2-pyridin-2-ylethanol;dihydrochloride (CID 67033506) is (2S)-2-amino-2-pyridin-2-ylethanol;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-2-pyridin-2-ylethanol;dihydrochloride?
The canonical SMILES for (2S)-2-amino-2-pyridin-2-ylethanol;dihydrochloride is Cl.Cl.N[C@H](CO)c1ccccn1.
What is the InChIKey of (2S)-2-amino-2-pyridin-2-ylethanol;dihydrochloride?
The InChIKey is CHZFBNDZYOIRDZ-QYCVXMPOSA-N. The full InChI is InChI=1S/C7H10N2O.2ClH/c8-6(5-10)7-3-1-2-4-9-7;;/h1-4,6,10H,5,8H2;2*1H/t6-;;/m1../s1.
What are the key properties of (2S)-2-amino-2-pyridin-2-ylethanol;dihydrochloride?
(2S)-2-amino-2-pyridin-2-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 (2S)-2-amino-2-pyridin-2-ylethanol;dihydrochloride is sourced from PubChem (CID 67033506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).