1-(3-amino-2-hydroxypropyl)pyridin-2-one;hydrochloride

C8H13ClN2O2 — CID 71779124

IUPAC1-(3-amino-2-hydroxypropyl)pyridin-2-one;hydrochloride
SMILESCl.NCC(O)Cn1ccccc1=O
InChIInChI=1S/C8H12N2O2.ClH/c9-5-7(11)6-10-4-2-1-3-8(10)12;/h1-4,7,11H,5-6,9H2;1H
InChIKeySWCKLGASIASQFV-UHFFFAOYSA-N
MW204.66 g/mol
LogP-0.41
Rot. Bonds3

About 1-(3-amino-2-hydroxypropyl)pyridin-2-one;hydrochloride

1-(3-amino-2-hydroxypropyl)pyridin-2-one;hydrochloride (PubChem CID 71779124) has the molecular formula C8H13ClN2O2 and a molecular weight of 204.66 g/mol. Its IUPAC name is 1-(3-amino-2-hydroxypropyl)pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name1-(3-amino-2-hydroxypropyl)pyridin-2-one;hydrochloride
PubChem CID71779124
Molecular FormulaC8H13ClN2O2
Molecular Weight204.66 g/mol
Exact Mass204.07
IUPAC Name1-(3-amino-2-hydroxypropyl)pyridin-2-one;hydrochloride
SMILESCl.NCC(O)Cn1ccccc1=O
InChIInChI=1S/C8H12N2O2.ClH/c9-5-7(11)6-10-4-2-1-3-8(10)12;/h1-4,7,11H,5-6,9H2;1H
InChIKeySWCKLGASIASQFV-UHFFFAOYSA-N
XLogP-0.41
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-hydroxypropyl)pyridin-2-one;hydrochloride?
The IUPAC name of 1-(3-amino-2-hydroxypropyl)pyridin-2-one;hydrochloride (CID 71779124) is 1-(3-amino-2-hydroxypropyl)pyridin-2-one;hydrochloride.
What is the SMILES notation for 1-(3-amino-2-hydroxypropyl)pyridin-2-one;hydrochloride?
The canonical SMILES for 1-(3-amino-2-hydroxypropyl)pyridin-2-one;hydrochloride is Cl.NCC(O)Cn1ccccc1=O.
What is the InChIKey of 1-(3-amino-2-hydroxypropyl)pyridin-2-one;hydrochloride?
The InChIKey is SWCKLGASIASQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2.ClH/c9-5-7(11)6-10-4-2-1-3-8(10)12;/h1-4,7,11H,5-6,9H2;1H.
What are the key properties of 1-(3-amino-2-hydroxypropyl)pyridin-2-one;hydrochloride?
1-(3-amino-2-hydroxypropyl)pyridin-2-one;hydrochloride has a molecular weight of 204.66 g/mol, XLogP of -0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-hydroxypropyl)pyridin-2-one;hydrochloride is sourced from PubChem (CID 71779124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).