N-(5-bromopyrazin-2-yl)-2,3-dihydroxybenzamide

C11H8BrN3O3 — CID 137001059

IUPACN-(5-bromopyrazin-2-yl)-2,3-dihydroxybenzamide
SMILESO=C(Nc1cnc(Br)cn1)c1cccc(O)c1O
InChIInChI=1S/C11H8BrN3O3/c12-8-4-14-9(5-13-8)15-11(18)6-2-1-3-7(16)10(6)17/h1-5,16-17H,(H,14,15,18)
InChIKeySJJPXLFKWXVZOV-UHFFFAOYSA-N
MW310.11 g/mol
LogP1.90
Rot. Bonds2

About N-(5-bromopyrazin-2-yl)-2,3-dihydroxybenzamide

N-(5-bromopyrazin-2-yl)-2,3-dihydroxybenzamide (PubChem CID 137001059) has the molecular formula C11H8BrN3O3 and a molecular weight of 310.11 g/mol. Its IUPAC name is N-(5-bromopyrazin-2-yl)-2,3-dihydroxybenzamide.

Molecular Properties

Compound NameN-(5-bromopyrazin-2-yl)-2,3-dihydroxybenzamide
PubChem CID137001059
Molecular FormulaC11H8BrN3O3
Molecular Weight310.11 g/mol
Exact Mass308.97
IUPAC NameN-(5-bromopyrazin-2-yl)-2,3-dihydroxybenzamide
SMILESO=C(Nc1cnc(Br)cn1)c1cccc(O)c1O
InChIInChI=1S/C11H8BrN3O3/c12-8-4-14-9(5-13-8)15-11(18)6-2-1-3-7(16)10(6)17/h1-5,16-17H,(H,14,15,18)
InChIKeySJJPXLFKWXVZOV-UHFFFAOYSA-N
XLogP1.90
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.11
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-bromopyrazin-2-yl)-3-hydroxypyridine-4-carboxamide
CID 81443745
N-(3,5-dibromopyrazin-2-yl)-2,3-dihydroxybenzamide
CID 136996675
3-amino-N-(5-bromopyrazin-2-yl)-2-nitrobenzamide
CID 115549218
N-(5-bromo-6-methyl-2-pyridinyl)-2,3-dihydroxybenzamide
CID 114343707
N-(5-bromopyrazin-2-yl)-2-chlorofuran-3-carboxamide
CID 106685085
N-(5-bromopyrazin-2-yl)-2-hydrazinyl-3-nitrobenzamide
CID 115937226
N-[4,6-bis[(2,3-dihydroxybenzoyl)amino]-1,3,5-triazin-2-yl]-2,3-dihydroxybenzamide
CID 164848329
N-(5-chloropyrazin-2-yl)-2-hydroxybenzamide
CID 107595825
N-(5-bromopyrazin-2-yl)-5-hydroxy-2-nitrobenzamide
CID 107076134
5-amino-N-(5-bromopyrazin-2-yl)pyridine-2-carboxamide
CID 81316335
2-amino-N-(5-bromopyrazin-2-yl)-6-ethoxybenzamide
CID 81420199
2,3-dihydroxy-N-(2,4,6-tribromophenyl)benzamide
CID 114343907

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopyrazin-2-yl)-2,3-dihydroxybenzamide?
The IUPAC name of N-(5-bromopyrazin-2-yl)-2,3-dihydroxybenzamide (CID 137001059) is N-(5-bromopyrazin-2-yl)-2,3-dihydroxybenzamide.
What is the SMILES notation for N-(5-bromopyrazin-2-yl)-2,3-dihydroxybenzamide?
The canonical SMILES for N-(5-bromopyrazin-2-yl)-2,3-dihydroxybenzamide is O=C(Nc1cnc(Br)cn1)c1cccc(O)c1O.
What is the InChIKey of N-(5-bromopyrazin-2-yl)-2,3-dihydroxybenzamide?
The InChIKey is SJJPXLFKWXVZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3O3/c12-8-4-14-9(5-13-8)15-11(18)6-2-1-3-7(16)10(6)17/h1-5,16-17H,(H,14,15,18).
What are the key properties of N-(5-bromopyrazin-2-yl)-2,3-dihydroxybenzamide?
N-(5-bromopyrazin-2-yl)-2,3-dihydroxybenzamide has a molecular weight of 310.11 g/mol, XLogP of 1.90, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopyrazin-2-yl)-2,3-dihydroxybenzamide is sourced from PubChem (CID 137001059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).