4-bromo-N-(6-chloro-2-pyridinyl)-2-hydroxybenzamide

C12H8BrClN2O2 — CID 104820162

IUPAC4-bromo-N-(6-chloro-2-pyridinyl)-2-hydroxybenzamide
SMILESO=C(Nc1cccc(Cl)n1)c1ccc(Br)cc1O
InChIInChI=1S/C12H8BrClN2O2/c13-7-4-5-8(9(17)6-7)12(18)16-11-3-1-2-10(14)15-11/h1-6,17H,(H,15,16,18)
InChIKeyOCMPERQGZJNUSH-UHFFFAOYSA-N
MW327.57 g/mol
LogP3.46
Rot. Bonds2

About 4-bromo-N-(6-chloro-2-pyridinyl)-2-hydroxybenzamide

4-bromo-N-(6-chloro-2-pyridinyl)-2-hydroxybenzamide (PubChem CID 104820162) has the molecular formula C12H8BrClN2O2 and a molecular weight of 327.57 g/mol. Its IUPAC name is 4-bromo-N-(6-chloro-2-pyridinyl)-2-hydroxybenzamide.

Molecular Properties

Compound Name4-bromo-N-(6-chloro-2-pyridinyl)-2-hydroxybenzamide
PubChem CID104820162
Molecular FormulaC12H8BrClN2O2
Molecular Weight327.57 g/mol
Exact Mass325.95
IUPAC Name4-bromo-N-(6-chloro-2-pyridinyl)-2-hydroxybenzamide
SMILESO=C(Nc1cccc(Cl)n1)c1ccc(Br)cc1O
InChIInChI=1S/C12H8BrClN2O2/c13-7-4-5-8(9(17)6-7)12(18)16-11-3-1-2-10(14)15-11/h1-6,17H,(H,15,16,18)
InChIKeyOCMPERQGZJNUSH-UHFFFAOYSA-N
XLogP3.46
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.57
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(6-chloro-2-pyridinyl)-2-hydroxybenzamide
CID 103739840
4-bromo-N-(6-bromo-2-pyridinyl)-2-chlorobenzamide
CID 43805504
2,5-dichloro-N-(6-chloro-2-pyridinyl)benzamide
CID 115683172
2,4-dibromo-N-(6-bromo-2-pyridinyl)benzamide
CID 103882532
4-bromo-N-(4,6-dimethyl-2-pyridinyl)-2-hydroxybenzamide
CID 114932587
N-(6-bromo-2-pyridinyl)-4-fluoro-2-hydroxybenzamide
CID 103829790
4-bromo-N-(4-bromo-2-chlorophenyl)-2-hydroxybenzamide
CID 63524501
N-(6-chloro-2-pyridinyl)-2,6-dimethylpyridine-3-carboxamide
CID 115683291
N-(6-chloro-2-pyridinyl)naphthalene-1-carboxamide
CID 115683288
4-bromo-N-(6-bromo-2-pyridinyl)-2-methylbenzamide
CID 43629940
2,4-dibromo-N-(6-fluoro-2-pyridinyl)benzamide
CID 113462597
5-amino-2,3-dichloro-N-(6-chloro-2-pyridinyl)benzamide
CID 107185680

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(6-chloro-2-pyridinyl)-2-hydroxybenzamide?
The IUPAC name of 4-bromo-N-(6-chloro-2-pyridinyl)-2-hydroxybenzamide (CID 104820162) is 4-bromo-N-(6-chloro-2-pyridinyl)-2-hydroxybenzamide.
What is the SMILES notation for 4-bromo-N-(6-chloro-2-pyridinyl)-2-hydroxybenzamide?
The canonical SMILES for 4-bromo-N-(6-chloro-2-pyridinyl)-2-hydroxybenzamide is O=C(Nc1cccc(Cl)n1)c1ccc(Br)cc1O.
What is the InChIKey of 4-bromo-N-(6-chloro-2-pyridinyl)-2-hydroxybenzamide?
The InChIKey is OCMPERQGZJNUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN2O2/c13-7-4-5-8(9(17)6-7)12(18)16-11-3-1-2-10(14)15-11/h1-6,17H,(H,15,16,18).
What are the key properties of 4-bromo-N-(6-chloro-2-pyridinyl)-2-hydroxybenzamide?
4-bromo-N-(6-chloro-2-pyridinyl)-2-hydroxybenzamide 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 4-bromo-N-(6-chloro-2-pyridinyl)-2-hydroxybenzamide is sourced from PubChem (CID 104820162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).