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

C5H5ClN2O — CID 71758208

IUPAC5-amino-6-chloro-1H-pyridin-2-one
SMILESNc1ccc(=O)[nH]c1Cl
InChIInChI=1S/C5H5ClN2O/c6-5-3(7)1-2-4(9)8-5/h1-2H,7H2,(H,8,9)
InChIKeyPWSZBXLJPSKYRS-UHFFFAOYSA-N
MW144.56 g/mol
LogP0.61
Rot. Bonds

About 5-amino-6-chloro-1H-pyridin-2-one

5-amino-6-chloro-1H-pyridin-2-one (PubChem CID 71758208) has the molecular formula C5H5ClN2O and a molecular weight of 144.56 g/mol. Its IUPAC name is 5-amino-6-chloro-1H-pyridin-2-one.

Molecular Properties

Compound Name5-amino-6-chloro-1H-pyridin-2-one
PubChem CID71758208
Molecular FormulaC5H5ClN2O
Molecular Weight144.56 g/mol
Exact Mass144.01
IUPAC Name5-amino-6-chloro-1H-pyridin-2-one
SMILESNc1ccc(=O)[nH]c1Cl
InChIInChI=1S/C5H5ClN2O/c6-5-3(7)1-2-4(9)8-5/h1-2H,7H2,(H,8,9)
InChIKeyPWSZBXLJPSKYRS-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 5-amino-6-chloro-1H-pyridin-2-one?
The IUPAC name of 5-amino-6-chloro-1H-pyridin-2-one (CID 71758208) is 5-amino-6-chloro-1H-pyridin-2-one.
What is the SMILES notation for 5-amino-6-chloro-1H-pyridin-2-one?
The canonical SMILES for 5-amino-6-chloro-1H-pyridin-2-one is Nc1ccc(=O)[nH]c1Cl.
What is the InChIKey of 5-amino-6-chloro-1H-pyridin-2-one?
The InChIKey is PWSZBXLJPSKYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2O/c6-5-3(7)1-2-4(9)8-5/h1-2H,7H2,(H,8,9).
What are the key properties of 5-amino-6-chloro-1H-pyridin-2-one?
5-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 5-amino-6-chloro-1H-pyridin-2-one is sourced from PubChem (CID 71758208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).