3-amino-6-chloro-1H-pyridin-2-one

C5H5ClN2O — CID 79003732

IUPAC3-amino-6-chloro-1H-pyridin-2-one
SMILESNc1ccc(Cl)[nH]c1=O
InChIInChI=1S/C5H5ClN2O/c6-4-2-1-3(7)5(9)8-4/h1-2H,7H2,(H,8,9)
InChIKeyKNJYECMOFGBQTE-UHFFFAOYSA-N
MW144.56 g/mol
LogP0.61
Rot. Bonds

About 3-amino-6-chloro-1H-pyridin-2-one

3-amino-6-chloro-1H-pyridin-2-one (PubChem CID 79003732) has the molecular formula C5H5ClN2O and a molecular weight of 144.56 g/mol. Its IUPAC name is 3-amino-6-chloro-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-6-chloro-1H-pyridin-2-one
PubChem CID79003732
Molecular FormulaC5H5ClN2O
Molecular Weight144.56 g/mol
Exact Mass144.01
IUPAC Name3-amino-6-chloro-1H-pyridin-2-one
SMILESNc1ccc(Cl)[nH]c1=O
InChIInChI=1S/C5H5ClN2O/c6-4-2-1-3(7)5(9)8-4/h1-2H,7H2,(H,8,9)
InChIKeyKNJYECMOFGBQTE-UHFFFAOYSA-N
XLogP0.61
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.56
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloro-1H-pyridin-2-one?
The IUPAC name of 3-amino-6-chloro-1H-pyridin-2-one (CID 79003732) is 3-amino-6-chloro-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-6-chloro-1H-pyridin-2-one?
The canonical SMILES for 3-amino-6-chloro-1H-pyridin-2-one is Nc1ccc(Cl)[nH]c1=O.
What is the InChIKey of 3-amino-6-chloro-1H-pyridin-2-one?
The InChIKey is KNJYECMOFGBQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2O/c6-4-2-1-3(7)5(9)8-4/h1-2H,7H2,(H,8,9).
What are the key properties of 3-amino-6-chloro-1H-pyridin-2-one?
3-amino-6-chloro-1H-pyridin-2-one has a molecular weight of 144.56 g/mol, XLogP of 0.61, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chloro-1H-pyridin-2-one is sourced from PubChem (CID 79003732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).