N-(6-bromo-2-methyl-3-pyridinyl)-3,4-dihydroxybenzamide

C13H11BrN2O3 — CID 113358735

IUPACN-(6-bromo-2-methyl-3-pyridinyl)-3,4-dihydroxybenzamide
SMILESCc1nc(Br)ccc1NC(=O)c1ccc(O)c(O)c1
InChIInChI=1S/C13H11BrN2O3/c1-7-9(3-5-12(14)15-7)16-13(19)8-2-4-10(17)11(18)6-8/h2-6,17-18H,1H3,(H,16,19)
InChIKeyKLKDBLHXPBKHPU-UHFFFAOYSA-N
MW323.15 g/mol
LogP2.82
Rot. Bonds2

About N-(6-bromo-2-methyl-3-pyridinyl)-3,4-dihydroxybenzamide

N-(6-bromo-2-methyl-3-pyridinyl)-3,4-dihydroxybenzamide (PubChem CID 113358735) has the molecular formula C13H11BrN2O3 and a molecular weight of 323.15 g/mol. Its IUPAC name is N-(6-bromo-2-methyl-3-pyridinyl)-3,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-(6-bromo-2-methyl-3-pyridinyl)-3,4-dihydroxybenzamide
PubChem CID113358735
Molecular FormulaC13H11BrN2O3
Molecular Weight323.15 g/mol
Exact Mass322.00
IUPAC NameN-(6-bromo-2-methyl-3-pyridinyl)-3,4-dihydroxybenzamide
SMILESCc1nc(Br)ccc1NC(=O)c1ccc(O)c(O)c1
InChIInChI=1S/C13H11BrN2O3/c1-7-9(3-5-12(14)15-7)16-13(19)8-2-4-10(17)11(18)6-8/h2-6,17-18H,1H3,(H,16,19)
InChIKeyKLKDBLHXPBKHPU-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(6-bromo-2-methyl-3-pyridinyl)-5-hydroxypyridine-3-carboxamide
CID 113349996
N-(6-bromo-2-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 103909634
N-(6-bromo-2-methyl-3-pyridinyl)-4-fluoro-2-methylbenzamide
CID 113349854
N-(6-bromo-2-methyl-3-pyridinyl)-4-chloro-2-methylbenzamide
CID 103909568
2,5-dibromo-N-(6-bromo-2-methyl-3-pyridinyl)benzamide
CID 104920609
3,4-dihydroxy-N-(2-methylphenyl)benzamide
CID 57150208
N-(6-bromo-2-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 103909689
N-(6-bromo-2-pyridinyl)-3-hydroxy-4-methylbenzamide
CID 43520349
4-bromo-3-hydroxy-N-(2-methyl-3-pyridinyl)benzamide
CID 103957362
N-(6-bromo-2-methyl-3-pyridinyl)-2,5-difluorobenzamide
CID 103909591
4-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-1-methylpyrrole-2-carboxamide
CID 113349883
CID 58240553
CID 58240553

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)-3,4-dihydroxybenzamide?
The IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)-3,4-dihydroxybenzamide (CID 113358735) is N-(6-bromo-2-methyl-3-pyridinyl)-3,4-dihydroxybenzamide.
What is the SMILES notation for N-(6-bromo-2-methyl-3-pyridinyl)-3,4-dihydroxybenzamide?
The canonical SMILES for N-(6-bromo-2-methyl-3-pyridinyl)-3,4-dihydroxybenzamide is Cc1nc(Br)ccc1NC(=O)c1ccc(O)c(O)c1.
What is the InChIKey of N-(6-bromo-2-methyl-3-pyridinyl)-3,4-dihydroxybenzamide?
The InChIKey is KLKDBLHXPBKHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O3/c1-7-9(3-5-12(14)15-7)16-13(19)8-2-4-10(17)11(18)6-8/h2-6,17-18H,1H3,(H,16,19).
What are the key properties of N-(6-bromo-2-methyl-3-pyridinyl)-3,4-dihydroxybenzamide?
N-(6-bromo-2-methyl-3-pyridinyl)-3,4-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-(6-bromo-2-methyl-3-pyridinyl)-3,4-dihydroxybenzamide is sourced from PubChem (CID 113358735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).