4-bromo-3-hydroxy-N-(6-methyl-3-pyridinyl)benzamide

C13H11BrN2O2 — CID 103957612

IUPAC4-bromo-3-hydroxy-N-(6-methyl-3-pyridinyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(Br)c(O)c2)cn1
InChIInChI=1S/C13H11BrN2O2/c1-8-2-4-10(7-15-8)16-13(18)9-3-5-11(14)12(17)6-9/h2-7,17H,1H3,(H,16,18)
InChIKeyXYIWXMZNXUFWNM-UHFFFAOYSA-N
MW307.15 g/mol
LogP3.11
Rot. Bonds2

About 4-bromo-3-hydroxy-N-(6-methyl-3-pyridinyl)benzamide

4-bromo-3-hydroxy-N-(6-methyl-3-pyridinyl)benzamide (PubChem CID 103957612) has the molecular formula C13H11BrN2O2 and a molecular weight of 307.15 g/mol. Its IUPAC name is 4-bromo-3-hydroxy-N-(6-methyl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-hydroxy-N-(6-methyl-3-pyridinyl)benzamide
PubChem CID103957612
Molecular FormulaC13H11BrN2O2
Molecular Weight307.15 g/mol
Exact Mass306.00
IUPAC Name4-bromo-3-hydroxy-N-(6-methyl-3-pyridinyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(Br)c(O)c2)cn1
InChIInChI=1S/C13H11BrN2O2/c1-8-2-4-10(7-15-8)16-13(18)9-3-5-11(14)12(17)6-9/h2-7,17H,1H3,(H,16,18)
InChIKeyXYIWXMZNXUFWNM-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

4-bromo-3-hydroxy-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide
CID 103957726
3-hydroxy-N-(6-methyl-3-pyridinyl)-4-nitrobenzamide
CID 107076246
4-bromo-N-(3-chloro-4-methylphenyl)-3-hydroxybenzamide
CID 103830447
N-(4-amino-3-bromophenyl)-6-methylpyridine-3-carboxamide
CID 82861470
4-iodo-N-(6-methyl-3-pyridinyl)benzamide
CID 59706920
4-bromo-3-hydroxy-N-(2-methyl-3-pyridinyl)benzamide
CID 103957362
4-fluoro-N-(6-methyl-3-pyridinyl)-3-sulfanylbenzamide
CID 107033145
4-bromo-N-(3-bromo-4-fluorophenyl)-3-hydroxybenzamide
CID 113342873
4-bromo-3-hydroxy-N-(4-propoxyphenyl)benzamide
CID 103885194
N-(3-acetamidophenyl)-4-bromo-3-hydroxybenzamide
CID 103871323
N-[6-[5-[(3,4-dihydroxybenzoyl)amino]-2-pyridinyl]-3-pyridinyl]-3,4-dihydroxybenzamide
CID 136814357
1,3-bis(6-methyl-3-pyridinyl)urea
CID 102308841

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-hydroxy-N-(6-methyl-3-pyridinyl)benzamide?
The IUPAC name of 4-bromo-3-hydroxy-N-(6-methyl-3-pyridinyl)benzamide (CID 103957612) is 4-bromo-3-hydroxy-N-(6-methyl-3-pyridinyl)benzamide.
What is the SMILES notation for 4-bromo-3-hydroxy-N-(6-methyl-3-pyridinyl)benzamide?
The canonical SMILES for 4-bromo-3-hydroxy-N-(6-methyl-3-pyridinyl)benzamide is Cc1ccc(NC(=O)c2ccc(Br)c(O)c2)cn1.
What is the InChIKey of 4-bromo-3-hydroxy-N-(6-methyl-3-pyridinyl)benzamide?
The InChIKey is XYIWXMZNXUFWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O2/c1-8-2-4-10(7-15-8)16-13(18)9-3-5-11(14)12(17)6-9/h2-7,17H,1H3,(H,16,18).
What are the key properties of 4-bromo-3-hydroxy-N-(6-methyl-3-pyridinyl)benzamide?
4-bromo-3-hydroxy-N-(6-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-(6-methyl-3-pyridinyl)benzamide is sourced from PubChem (CID 103957612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).