4-(2-Aminoethyl)pyridin-2-ol dihydrochloride

C7H12Cl2N2O — CID 134691073

IUPAC4-(2-aminoethyl)-1H-pyridin-2-one;dihydrochloride
SMILESC1=CNC(=O)C=C1CCN.Cl.Cl
InChIInChI=1S/C7H10N2O.2ClH/c8-3-1-6-2-4-9-7(10)5-6;;/h2,4-5H,1,3,8H2,(H,9,10);2*1H
InChIKeySMGXZMBKKOVDRW-UHFFFAOYSA-N
MW211.09 g/mol
LogP—
Rot. Bonds2

About 4-(2-Aminoethyl)pyridin-2-ol dihydrochloride

4-(2-Aminoethyl)pyridin-2-ol dihydrochloride (PubChem CID 134691073) has the molecular formula C7H12Cl2N2O and a molecular weight of 211.09 g/mol. Its IUPAC name is 4-(2-aminoethyl)-1H-pyridin-2-one;dihydrochloride.

Molecular Properties

Compound Name4-(2-Aminoethyl)pyridin-2-ol dihydrochloride
PubChem CID134691073
Molecular FormulaC7H12Cl2N2O
Molecular Weight211.09 g/mol
Exact Mass210.03
IUPAC Name4-(2-aminoethyl)-1H-pyridin-2-one;dihydrochloride
SMILESC1=CNC(=O)C=C1CCN.Cl.Cl
InChIInChI=1S/C7H10N2O.2ClH/c8-3-1-6-2-4-9-7(10)5-6;;/h2,4-5H,1,3,8H2,(H,9,10);2*1H
InChIKeySMGXZMBKKOVDRW-UHFFFAOYSA-N
XLogP—
TPSA55.10 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity194

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-Aminoethyl)pyridin-2-ol dihydrochloride?
The IUPAC name of 4-(2-Aminoethyl)pyridin-2-ol dihydrochloride (CID 134691073) is 4-(2-aminoethyl)-1H-pyridin-2-one;dihydrochloride.
What is the SMILES notation for 4-(2-Aminoethyl)pyridin-2-ol dihydrochloride?
The canonical SMILES for 4-(2-Aminoethyl)pyridin-2-ol dihydrochloride is C1=CNC(=O)C=C1CCN.Cl.Cl.
What is the InChIKey of 4-(2-Aminoethyl)pyridin-2-ol dihydrochloride?
The InChIKey is SMGXZMBKKOVDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O.2ClH/c8-3-1-6-2-4-9-7(10)5-6;;/h2,4-5H,1,3,8H2,(H,9,10);2*1H.
What are the key properties of 4-(2-Aminoethyl)pyridin-2-ol dihydrochloride?
4-(2-Aminoethyl)pyridin-2-ol dihydrochloride has a molecular weight of 211.09 g/mol, XLogP of not available, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-Aminoethyl)pyridin-2-ol dihydrochloride is sourced from PubChem (CID 134691073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).