N-(4-bromophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide

C13H12BrN2O2+ — CID 2329822

IUPACN-(4-bromophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide
SMILESO=C(C[n+]1cccc(O)c1)Nc1ccc(Br)cc1
InChIInChI=1S/C13H11BrN2O2/c14-10-3-5-11(6-4-10)15-13(18)9-16-7-1-2-12(17)8-16/h1-8H,9H2,(H-,15,17,18)/p+1
InChIKeyHMJRIJDCCOUTDL-UHFFFAOYSA-O
MW308.16 g/mol
LogP2.08
Rot. Bonds3

About N-(4-bromophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide

N-(4-bromophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide (PubChem CID 2329822) has the molecular formula C13H12BrN2O2+ and a molecular weight of 308.16 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide
PubChem CID2329822
Molecular FormulaC13H12BrN2O2+
Molecular Weight308.16 g/mol
Exact Mass307.01
IUPAC NameN-(4-bromophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide
SMILESO=C(C[n+]1cccc(O)c1)Nc1ccc(Br)cc1
InChIInChI=1S/C13H11BrN2O2/c14-10-3-5-11(6-4-10)15-13(18)9-16-7-1-2-12(17)8-16/h1-8H,9H2,(H-,15,17,18)/p+1
InChIKeyHMJRIJDCCOUTDL-UHFFFAOYSA-O
XLogP2.08
TPSA53.21 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.16
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-(4-bromophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-chlorophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide
CID 8751307
2-(3-hydroxypyridin-1-ium-1-yl)-N-naphthalen-2-ylacetamide
CID 8751051
2-(3-hydroxypyridin-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 8751008
N-(2-bromo-4-methylphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide
CID 8751353
2-(3-hydroxypyridin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 8751323
1-(2-anilino-2-oxoethyl)pyridin-1-ium-3-carboxylic acid
CID 11473170
2-(3-methylpyridin-1-ium-1-yl)-N-phenylacetamide bromide
CID 21176144
N-(4-methylphenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide
CID 8876537
N-[(2S)-butan-2-yl]-2-(3-hydroxypyridin-1-ium-1-yl)acetamide
CID 8773444
4-[[2-(3-carbamoylpyridin-1-ium-1-yl)acetyl]amino]benzoate
CID 7064540
N-(4-bromophenyl)-4-methylpentanamide
CID 28780538
4-(4-bromoanilino)-4-oxobutanoic acid
CID 2828913

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide (CID 2329822) is N-(4-bromophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide is O=C(C[n+]1cccc(O)c1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide?
The InChIKey is HMJRIJDCCOUTDL-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H11BrN2O2/c14-10-3-5-11(6-4-10)15-13(18)9-16-7-1-2-12(17)8-16/h1-8H,9H2,(H-,15,17,18)/p+1.
What are the key properties of N-(4-bromophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide?
N-(4-bromophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide has a molecular weight of 308.16 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide is sourced from PubChem (CID 2329822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).