3-amino-1H-pyridin-2-one;hydrochloride

C5H7ClN2O — CID 47002579

IUPAC3-amino-1H-pyridin-2-one;hydrochloride
SMILESCl.Nc1ccc[nH]c1=O
InChIInChI=1S/C5H6N2O.ClH/c6-4-2-1-3-7-5(4)8;/h1-3H,6H2,(H,7,8);1H
InChIKeyYJQBZFOBZMDVHX-UHFFFAOYSA-N
MW146.58 g/mol
LogP0.38
Rot. Bonds

About 3-amino-1H-pyridin-2-one;hydrochloride

3-amino-1H-pyridin-2-one;hydrochloride (PubChem CID 47002579) has the molecular formula C5H7ClN2O and a molecular weight of 146.58 g/mol. Its IUPAC name is 3-amino-1H-pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name3-amino-1H-pyridin-2-one;hydrochloride
PubChem CID47002579
Molecular FormulaC5H7ClN2O
Molecular Weight146.58 g/mol
Exact Mass146.02
IUPAC Name3-amino-1H-pyridin-2-one;hydrochloride
SMILESCl.Nc1ccc[nH]c1=O
InChIInChI=1S/C5H6N2O.ClH/c6-4-2-1-3-7-5(4)8;/h1-3H,6H2,(H,7,8);1H
InChIKeyYJQBZFOBZMDVHX-UHFFFAOYSA-N
XLogP0.38
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.58
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1H-pyridin-2-one;hydrochloride?
The IUPAC name of 3-amino-1H-pyridin-2-one;hydrochloride (CID 47002579) is 3-amino-1H-pyridin-2-one;hydrochloride.
What is the SMILES notation for 3-amino-1H-pyridin-2-one;hydrochloride?
The canonical SMILES for 3-amino-1H-pyridin-2-one;hydrochloride is Cl.Nc1ccc[nH]c1=O.
What is the InChIKey of 3-amino-1H-pyridin-2-one;hydrochloride?
The InChIKey is YJQBZFOBZMDVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O.ClH/c6-4-2-1-3-7-5(4)8;/h1-3H,6H2,(H,7,8);1H.
What are the key properties of 3-amino-1H-pyridin-2-one;hydrochloride?
3-amino-1H-pyridin-2-one;hydrochloride has a molecular weight of 146.58 g/mol, XLogP of 0.38, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1H-pyridin-2-one;hydrochloride is sourced from PubChem (CID 47002579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).