N-(6-bromo-2-pyridinyl)-3-hydroxy-4-methylbenzamide

C13H11BrN2O2 — CID 43520349

IUPACN-(6-bromo-2-pyridinyl)-3-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(Br)n2)cc1O
InChIInChI=1S/C13H11BrN2O2/c1-8-5-6-9(7-10(8)17)13(18)16-12-4-2-3-11(14)15-12/h2-7,17H,1H3,(H,15,16,18)
InChIKeyDXCPFFDEPYLPKV-UHFFFAOYSA-N
MW307.15 g/mol
LogP3.11
Rot. Bonds2

About N-(6-bromo-2-pyridinyl)-3-hydroxy-4-methylbenzamide

N-(6-bromo-2-pyridinyl)-3-hydroxy-4-methylbenzamide (PubChem CID 43520349) has the molecular formula C13H11BrN2O2 and a molecular weight of 307.15 g/mol. Its IUPAC name is N-(6-bromo-2-pyridinyl)-3-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(6-bromo-2-pyridinyl)-3-hydroxy-4-methylbenzamide
PubChem CID43520349
Molecular FormulaC13H11BrN2O2
Molecular Weight307.15 g/mol
Exact Mass306.00
IUPAC NameN-(6-bromo-2-pyridinyl)-3-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(Br)n2)cc1O
InChIInChI=1S/C13H11BrN2O2/c1-8-5-6-9(7-10(8)17)13(18)16-12-4-2-3-11(14)15-12/h2-7,17H,1H3,(H,15,16,18)
InChIKeyDXCPFFDEPYLPKV-UHFFFAOYSA-N
XLogP3.11
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 53.11
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

N-(5-bromo-6-methyl-2-pyridinyl)-3-hydroxy-4-methylbenzamide
CID 79048356
N-(6-bromo-2-pyridinyl)-4-hydroxybenzamide
CID 43520413
N-(6-bromo-2-pyridinyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 43520459
3,5-dibromo-N-(6-bromo-2-pyridinyl)benzamide
CID 114022639
4-bromo-N-(6-bromo-2-pyridinyl)-2-methylbenzamide
CID 43629940
N-(6-bromo-2-pyridinyl)-2,4-dimethylbenzamide
CID 43520367
N-(6-bromo-2-pyridinyl)benzamide
CID 43520453
N-(6-bromo-2-pyridinyl)-5-fluoro-2-methylbenzamide
CID 55134915
N-(6-bromo-2-pyridinyl)-4-chloro-3-fluorobenzamide
CID 103875844
6-bromo-N-(6-bromo-2-pyridinyl)pyridine-3-carboxamide
CID 59408764
N-(5-bromo-2-methylphenyl)-3-hydroxy-4-methylbenzamide
CID 43806148
N-(6-bromo-2-methyl-3-pyridinyl)-3,4-dihydroxybenzamide
CID 113358735

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-pyridinyl)-3-hydroxy-4-methylbenzamide?
The IUPAC name of N-(6-bromo-2-pyridinyl)-3-hydroxy-4-methylbenzamide (CID 43520349) is N-(6-bromo-2-pyridinyl)-3-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-(6-bromo-2-pyridinyl)-3-hydroxy-4-methylbenzamide?
The canonical SMILES for N-(6-bromo-2-pyridinyl)-3-hydroxy-4-methylbenzamide is Cc1ccc(C(=O)Nc2cccc(Br)n2)cc1O.
What is the InChIKey of N-(6-bromo-2-pyridinyl)-3-hydroxy-4-methylbenzamide?
The InChIKey is DXCPFFDEPYLPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O2/c1-8-5-6-9(7-10(8)17)13(18)16-12-4-2-3-11(14)15-12/h2-7,17H,1H3,(H,15,16,18).
What are the key properties of N-(6-bromo-2-pyridinyl)-3-hydroxy-4-methylbenzamide?
N-(6-bromo-2-pyridinyl)-3-hydroxy-4-methylbenzamide has a molecular weight of 307.15 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-pyridinyl)-3-hydroxy-4-methylbenzamide is sourced from PubChem (CID 43520349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).