4-bromo-3-hydroxy-N-(2-methyl-3-pyridinyl)benzamide

C13H11BrN2O2 — CID 103957362

IUPAC4-bromo-3-hydroxy-N-(2-methyl-3-pyridinyl)benzamide
SMILESCc1ncccc1NC(=O)c1ccc(Br)c(O)c1
InChIInChI=1S/C13H11BrN2O2/c1-8-11(3-2-6-15-8)16-13(18)9-4-5-10(14)12(17)7-9/h2-7,17H,1H3,(H,16,18)
InChIKeyIMOSMCABFLZGON-UHFFFAOYSA-N
MW307.15 g/mol
LogP3.11
Rot. Bonds2

About 4-bromo-3-hydroxy-N-(2-methyl-3-pyridinyl)benzamide

4-bromo-3-hydroxy-N-(2-methyl-3-pyridinyl)benzamide (PubChem CID 103957362) has the molecular formula C13H11BrN2O2 and a molecular weight of 307.15 g/mol. Its IUPAC name is 4-bromo-3-hydroxy-N-(2-methyl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-hydroxy-N-(2-methyl-3-pyridinyl)benzamide
PubChem CID103957362
Molecular FormulaC13H11BrN2O2
Molecular Weight307.15 g/mol
Exact Mass306.00
IUPAC Name4-bromo-3-hydroxy-N-(2-methyl-3-pyridinyl)benzamide
SMILESCc1ncccc1NC(=O)c1ccc(Br)c(O)c1
InChIInChI=1S/C13H11BrN2O2/c1-8-11(3-2-6-15-8)16-13(18)9-4-5-10(14)12(17)7-9/h2-7,17H,1H3,(H,16,18)
InChIKeyIMOSMCABFLZGON-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

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Related Compounds

3-bromo-4-fluoro-N-(2-methyl-3-pyridinyl)benzamide
CID 103715047
4-bromo-3-hydroxy-N-quinolin-8-ylbenzamide
CID 103871242
5-bromo-2-hydroxy-N-(2-methyl-3-pyridinyl)benzamide
CID 103715623
4-fluoro-N-(2-methyl-3-pyridinyl)benzamide
CID 79041653
N-(2-aminophenyl)-4-bromo-3-hydroxybenzamide
CID 114103160
3,5-diamino-N-(2-methyl-3-pyridinyl)benzamide
CID 79042253
4-(methylamino)-N-(2-methyl-3-pyridinyl)benzamide
CID 79043682
3-bromo-N-(2-bromo-3-pyridinyl)-4-methylbenzamide
CID 103819269
4-bromo-3-hydroxy-N-(6-methyl-3-pyridinyl)benzamide
CID 103957612
4-(ethylamino)-3-methyl-N-(2-methyl-3-pyridinyl)benzamide
CID 79043080
3-amino-4-(dimethylamino)-N-(2-methyl-3-pyridinyl)benzamide
CID 79042477
3-hydroxy-2-methyl-N-(2-methyl-3-pyridinyl)benzamide
CID 82829673

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-hydroxy-N-(2-methyl-3-pyridinyl)benzamide?
The IUPAC name of 4-bromo-3-hydroxy-N-(2-methyl-3-pyridinyl)benzamide (CID 103957362) is 4-bromo-3-hydroxy-N-(2-methyl-3-pyridinyl)benzamide.
What is the SMILES notation for 4-bromo-3-hydroxy-N-(2-methyl-3-pyridinyl)benzamide?
The canonical SMILES for 4-bromo-3-hydroxy-N-(2-methyl-3-pyridinyl)benzamide is Cc1ncccc1NC(=O)c1ccc(Br)c(O)c1.
What is the InChIKey of 4-bromo-3-hydroxy-N-(2-methyl-3-pyridinyl)benzamide?
The InChIKey is IMOSMCABFLZGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O2/c1-8-11(3-2-6-15-8)16-13(18)9-4-5-10(14)12(17)7-9/h2-7,17H,1H3,(H,16,18).
What are the key properties of 4-bromo-3-hydroxy-N-(2-methyl-3-pyridinyl)benzamide?
4-bromo-3-hydroxy-N-(2-methyl-3-pyridinyl)benzamide 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 4-bromo-3-hydroxy-N-(2-methyl-3-pyridinyl)benzamide is sourced from PubChem (CID 103957362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).