N-(5-bromo-6-methyl-2-pyridinyl)-2,3-dihydroxybenzamide

C13H11BrN2O3 — CID 114343707

IUPACN-(5-bromo-6-methyl-2-pyridinyl)-2,3-dihydroxybenzamide
SMILESCc1nc(NC(=O)c2cccc(O)c2O)ccc1Br
InChIInChI=1S/C13H11BrN2O3/c1-7-9(14)5-6-11(15-7)16-13(19)8-3-2-4-10(17)12(8)18/h2-6,17-18H,1H3,(H,15,16,19)
InChIKeyDCKVUBBHUBOOBQ-UHFFFAOYSA-N
MW323.15 g/mol
LogP2.82
Rot. Bonds2

About N-(5-bromo-6-methyl-2-pyridinyl)-2,3-dihydroxybenzamide

N-(5-bromo-6-methyl-2-pyridinyl)-2,3-dihydroxybenzamide (PubChem CID 114343707) has the molecular formula C13H11BrN2O3 and a molecular weight of 323.15 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-2-pyridinyl)-2,3-dihydroxybenzamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)-2,3-dihydroxybenzamide
PubChem CID114343707
Molecular FormulaC13H11BrN2O3
Molecular Weight323.15 g/mol
Exact Mass322.00
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)-2,3-dihydroxybenzamide
SMILESCc1nc(NC(=O)c2cccc(O)c2O)ccc1Br
InChIInChI=1S/C13H11BrN2O3/c1-7-9(14)5-6-11(15-7)16-13(19)8-3-2-4-10(17)12(8)18/h2-6,17-18H,1H3,(H,15,16,19)
InChIKeyDCKVUBBHUBOOBQ-UHFFFAOYSA-N
XLogP2.82
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.15
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-6-methyl-2-pyridinyl)-3-hydroxybenzamide
CID 79049112
N-(5-bromo-6-methyl-2-pyridinyl)-2-hydroxy-4-methoxybenzamide
CID 79048960
N-[4,6-bis[(2,3-dihydroxybenzoyl)amino]-1,3,5-triazin-2-yl]-2,3-dihydroxybenzamide
CID 164848329
N-(5-bromo-6-methyl-2-pyridinyl)-2,6-dichloropyridine-3-carboxamide
CID 103715596
N-(5-bromo-6-methyl-2-pyridinyl)-6-(methylamino)pyridine-2-carboxamide
CID 79048918
N-(5-bromo-6-methyl-2-pyridinyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 79041376
N-(5-bromo-6-methyl-2-pyridinyl)-3-hydroxy-4-methylbenzamide
CID 79048356
4-bromo-N-(5-bromo-6-methyl-2-pyridinyl)benzamide
CID 4509258
N-(5-bromo-6-methyl-2-pyridinyl)furan-2-carboxamide
CID 955822
N-(5-bromo-6-methyl-2-pyridinyl)-2,4,6-trimethylbenzamide
CID 79048667
N-(5-bromopyrazin-2-yl)-2,3-dihydroxybenzamide
CID 137001059
N-(5-bromo-6-methyl-2-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104624513

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-2,3-dihydroxybenzamide?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-2,3-dihydroxybenzamide (CID 114343707) is N-(5-bromo-6-methyl-2-pyridinyl)-2,3-dihydroxybenzamide.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)-2,3-dihydroxybenzamide?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)-2,3-dihydroxybenzamide is Cc1nc(NC(=O)c2cccc(O)c2O)ccc1Br.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)-2,3-dihydroxybenzamide?
The InChIKey is DCKVUBBHUBOOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O3/c1-7-9(14)5-6-11(15-7)16-13(19)8-3-2-4-10(17)12(8)18/h2-6,17-18H,1H3,(H,15,16,19).
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)-2,3-dihydroxybenzamide?
N-(5-bromo-6-methyl-2-pyridinyl)-2,3-dihydroxybenzamide has a molecular weight of 323.15 g/mol, XLogP of 2.82, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-methyl-2-pyridinyl)-2,3-dihydroxybenzamide is sourced from PubChem (CID 114343707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).