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

C13H12ClN2O2+ — CID 8751307

IUPACN-(4-chlorophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide
SMILESO=C(C[n+]1cccc(O)c1)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H11ClN2O2/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
InChIKeyPOXPPXPNUICYFL-UHFFFAOYSA-O
MW263.70 g/mol
LogP1.97
Rot. Bonds3

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

N-(4-chlorophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide (PubChem CID 8751307) has the molecular formula C13H12ClN2O2+ and a molecular weight of 263.70 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide
PubChem CID8751307
Molecular FormulaC13H12ClN2O2+
Molecular Weight263.70 g/mol
Exact Mass263.06
IUPAC NameN-(4-chlorophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide
SMILESO=C(C[n+]1cccc(O)c1)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H11ClN2O2/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
InChIKeyPOXPPXPNUICYFL-UHFFFAOYSA-O
XLogP1.97
TPSA53.21 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.70
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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
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
N-(3-chlorophenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide
CID 8876592
N-(4-methylphenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide
CID 8876537
2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-iodo-2-methylphenyl)acetamide
CID 8751313
N-(2-bromo-4-methylphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide
CID 8751353
N-[(2S)-butan-2-yl]-2-(3-hydroxypyridin-1-ium-1-yl)acetamide
CID 8773444
N-(3-chloro-4-fluorophenyl)-2-isoquinolin-2-ium-2-ylacetamide;hydrobromide
CID 126958312
4-[[2-(3-carbamoylpyridin-1-ium-1-yl)acetyl]amino]benzoate
CID 7064540
N,N'-bis(4-chlorophenyl)-3-oxopentanediamide
CID 12654887

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide (CID 8751307) is N-(4-chlorophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide is O=C(C[n+]1cccc(O)c1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide?
The InChIKey is POXPPXPNUICYFL-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H11ClN2O2/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-chlorophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide?
N-(4-chlorophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide has a molecular weight of 263.70 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide is sourced from PubChem (CID 8751307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).