1H-pyridin-2-one;hydrobromide

C5H6BrNO — CID 19780314

IUPAC1H-pyridin-2-one;hydrobromide
SMILESBr.O=c1cccc[nH]1
InChIInChI=1S/C5H5NO.BrH/c7-5-3-1-2-4-6-5;/h1-4H,(H,6,7);1H
InChIKeyMSDGVPDAQASBAU-UHFFFAOYSA-N
MW176.01 g/mol
LogP0.95
Rot. Bonds

About 1H-pyridin-2-one;hydrobromide

1H-pyridin-2-one;hydrobromide (PubChem CID 19780314) has the molecular formula C5H6BrNO and a molecular weight of 176.01 g/mol. Its IUPAC name is 1H-pyridin-2-one;hydrobromide.

Molecular Properties

Compound Name1H-pyridin-2-one;hydrobromide
PubChem CID19780314
Molecular FormulaC5H6BrNO
Molecular Weight176.01 g/mol
Exact Mass174.96
IUPAC Name1H-pyridin-2-one;hydrobromide
SMILESBr.O=c1cccc[nH]1
InChIInChI=1S/C5H5NO.BrH/c7-5-3-1-2-4-6-5;/h1-4H,(H,6,7);1H
InChIKeyMSDGVPDAQASBAU-UHFFFAOYSA-N
XLogP0.95
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.01
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1H-pyridin-2-one;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1H-pyridin-2-one;hydrobromide?
The IUPAC name of 1H-pyridin-2-one;hydrobromide (CID 19780314) is 1H-pyridin-2-one;hydrobromide.
What is the SMILES notation for 1H-pyridin-2-one;hydrobromide?
The canonical SMILES for 1H-pyridin-2-one;hydrobromide is Br.O=c1cccc[nH]1.
What is the InChIKey of 1H-pyridin-2-one;hydrobromide?
The InChIKey is MSDGVPDAQASBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO.BrH/c7-5-3-1-2-4-6-5;/h1-4H,(H,6,7);1H.
What are the key properties of 1H-pyridin-2-one;hydrobromide?
1H-pyridin-2-one;hydrobromide has a molecular weight of 176.01 g/mol, XLogP of 0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyridin-2-one;hydrobromide is sourced from PubChem (CID 19780314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).