About N-(4-bromo-2-chlorophenyl)-3-hydroxypyridine-2-carboxamide
N-(4-bromo-2-chlorophenyl)-3-hydroxypyridine-2-carboxamide (PubChem CID 54861481) has the molecular formula C12H8BrClN2O2
and a molecular weight of 327.57 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-3-hydroxypyridine-2-carboxamide.
Molecular Properties
| Compound Name | N-(4-bromo-2-chlorophenyl)-3-hydroxypyridine-2-carboxamide |
| PubChem CID | 54861481 |
| Molecular Formula | C12H8BrClN2O2 |
| Molecular Weight | 327.57 g/mol |
| Exact Mass | 325.95 |
| IUPAC Name | N-(4-bromo-2-chlorophenyl)-3-hydroxypyridine-2-carboxamide |
| SMILES | O=C(Nc1ccc(Br)cc1Cl)c1ncccc1O |
| InChI | InChI=1S/C12H8BrClN2O2/c13-7-3-4-9(8(14)6-7)16-12(18)11-10(17)2-1-5-15-11/h1-6,17H,(H,16,18) |
| InChIKey | VBPBBIQFLHPJNQ-UHFFFAOYSA-N |
| XLogP | 3.46 |
| TPSA | 62.22 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 327.57 |
| LogP ≤ 5 | 3.46 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
Analyze N-(4-bromo-2-chlorophenyl)-3-hydroxypyridine-2-carboxamide 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 N-(4-bromo-2-chlorophenyl)-3-hydroxypyridine-2-carboxamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-3-hydroxypyridine-2-carboxamide (CID 54861481) is N-(4-bromo-2-chlorophenyl)-3-hydroxypyridine-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-3-hydroxypyridine-2-carboxamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-3-hydroxypyridine-2-carboxamide is O=C(Nc1ccc(Br)cc1Cl)c1ncccc1O.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-3-hydroxypyridine-2-carboxamide?
The InChIKey is VBPBBIQFLHPJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN2O2/c13-7-3-4-9(8(14)6-7)16-12(18)11-10(17)2-1-5-15-11/h1-6,17H,(H,16,18).
What are the key properties of N-(4-bromo-2-chlorophenyl)-3-hydroxypyridine-2-carboxamide?
N-(4-bromo-2-chlorophenyl)-3-hydroxypyridine-2-carboxamide has a molecular weight of 327.57 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-3-hydroxypyridine-2-carboxamide is sourced from PubChem (CID 54861481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).