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

C12H8BrClN2O2 — CID 103739840

IUPAC5-bromo-N-(6-chloro-2-pyridinyl)-2-hydroxybenzamide
SMILESO=C(Nc1cccc(Cl)n1)c1cc(Br)ccc1O
InChIInChI=1S/C12H8BrClN2O2/c13-7-4-5-9(17)8(6-7)12(18)16-11-3-1-2-10(14)15-11/h1-6,17H,(H,15,16,18)
InChIKeyIXBNMEZAVCGFTK-UHFFFAOYSA-N
MW327.57 g/mol
LogP3.46
Rot. Bonds2

About 5-bromo-N-(6-chloro-2-pyridinyl)-2-hydroxybenzamide

5-bromo-N-(6-chloro-2-pyridinyl)-2-hydroxybenzamide (PubChem CID 103739840) has the molecular formula C12H8BrClN2O2 and a molecular weight of 327.57 g/mol. Its IUPAC name is 5-bromo-N-(6-chloro-2-pyridinyl)-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-(6-chloro-2-pyridinyl)-2-hydroxybenzamide
PubChem CID103739840
Molecular FormulaC12H8BrClN2O2
Molecular Weight327.57 g/mol
Exact Mass325.95
IUPAC Name5-bromo-N-(6-chloro-2-pyridinyl)-2-hydroxybenzamide
SMILESO=C(Nc1cccc(Cl)n1)c1cc(Br)ccc1O
InChIInChI=1S/C12H8BrClN2O2/c13-7-4-5-9(17)8(6-7)12(18)16-11-3-1-2-10(14)15-11/h1-6,17H,(H,15,16,18)
InChIKeyIXBNMEZAVCGFTK-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

4-bromo-N-(6-chloro-2-pyridinyl)-2-hydroxybenzamide
CID 104820162
2,5-dichloro-N-(6-chloro-2-pyridinyl)benzamide
CID 115683172
4-bromo-N-(6-bromo-2-pyridinyl)-2-chlorobenzamide
CID 43805504
5-bromo-2-hydroxy-N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]benzamide
CID 142816904
N-(6-chloro-2-pyridinyl)naphthalene-1-carboxamide
CID 115683288
5-bromo-2-hydroxy-N-(2,4,6-trichlorophenyl)benzamide
CID 107729693
2,4-dibromo-N-(6-bromo-2-pyridinyl)benzamide
CID 103882532
5-amino-2,3-dichloro-N-(6-chloro-2-pyridinyl)benzamide
CID 107185680
5-bromo-N-(4-bromophenyl)-2-hydroxybenzamide;5-bromo-2-hydroxy-N-phenylbenzamide
CID 175557226
5-bromo-N-(3,5-dichloro-4-fluorophenyl)-2-hydroxybenzamide
CID 107729876
N-(6-chloro-2-pyridinyl)-2,6-dimethylpyridine-3-carboxamide
CID 115683291
5-bromo-2-chloro-N-pyridin-2-ylbenzamide
CID 774435

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(6-chloro-2-pyridinyl)-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-(6-chloro-2-pyridinyl)-2-hydroxybenzamide (CID 103739840) is 5-bromo-N-(6-chloro-2-pyridinyl)-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-(6-chloro-2-pyridinyl)-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-(6-chloro-2-pyridinyl)-2-hydroxybenzamide is O=C(Nc1cccc(Cl)n1)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-N-(6-chloro-2-pyridinyl)-2-hydroxybenzamide?
The InChIKey is IXBNMEZAVCGFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN2O2/c13-7-4-5-9(17)8(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 5-bromo-N-(6-chloro-2-pyridinyl)-2-hydroxybenzamide?
5-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 5-bromo-N-(6-chloro-2-pyridinyl)-2-hydroxybenzamide is sourced from PubChem (CID 103739840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).