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

C11H7Br2N3O3 — CID 136996675

IUPACN-(3,5-dibromopyrazin-2-yl)-2,3-dihydroxybenzamide
SMILESO=C(Nc1ncc(Br)nc1Br)c1cccc(O)c1O
InChIInChI=1S/C11H7Br2N3O3/c12-7-4-14-10(9(13)15-7)16-11(19)5-2-1-3-6(17)8(5)18/h1-4,17-18H,(H,14,16,19)
InChIKeyJMWUDKCSTGXPJR-UHFFFAOYSA-N
MW389.00 g/mol
LogP2.67
Rot. Bonds2

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

N-(3,5-dibromopyrazin-2-yl)-2,3-dihydroxybenzamide (PubChem CID 136996675) has the molecular formula C11H7Br2N3O3 and a molecular weight of 389.00 g/mol. Its IUPAC name is N-(3,5-dibromopyrazin-2-yl)-2,3-dihydroxybenzamide.

Molecular Properties

Compound NameN-(3,5-dibromopyrazin-2-yl)-2,3-dihydroxybenzamide
PubChem CID136996675
Molecular FormulaC11H7Br2N3O3
Molecular Weight389.00 g/mol
Exact Mass386.89
IUPAC NameN-(3,5-dibromopyrazin-2-yl)-2,3-dihydroxybenzamide
SMILESO=C(Nc1ncc(Br)nc1Br)c1cccc(O)c1O
InChIInChI=1S/C11H7Br2N3O3/c12-7-4-14-10(9(13)15-7)16-11(19)5-2-1-3-6(17)8(5)18/h1-4,17-18H,(H,14,16,19)
InChIKeyJMWUDKCSTGXPJR-UHFFFAOYSA-N
XLogP2.67
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.00
LogP ≤ 52.67
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

3-bromo-N-(3,5-dibromopyrazin-2-yl)-2-fluorobenzamide
CID 114074315
N-(5-bromopyrazin-2-yl)-2,3-dihydroxybenzamide
CID 137001059
5-bromo-N-(3,5-dibromopyrazin-2-yl)-2-iodobenzamide
CID 114074313
N-(3,5-dibromopyrazin-2-yl)-2,5-difluorobenzamide
CID 113255841
N-[4,6-bis[(2,3-dihydroxybenzoyl)amino]-1,3,5-triazin-2-yl]-2,3-dihydroxybenzamide
CID 164848329
5-bromo-N-(3,5-dibromopyrazin-2-yl)thiophene-2-carboxamide
CID 103756307
4-chloro-N-(3,5-dibromopyrazin-2-yl)benzamide
CID 113255851
N-(3,5-dibromopyrazin-2-yl)-1-benzofuran-2-carboxamide
CID 103756329
N-(5-bromo-6-methyl-2-pyridinyl)-2,3-dihydroxybenzamide
CID 114343707
3-bromo-N-(3,5-dibromopyrazin-2-yl)-4-fluorobenzamide
CID 114074325
2,3-dihydroxy-N-(2,4,6-tribromophenyl)benzamide
CID 114343907
N-(3,5-dibromopyrazin-2-yl)-2-(2-nitrophenyl)acetamide
CID 103756213

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dibromopyrazin-2-yl)-2,3-dihydroxybenzamide?
The IUPAC name of N-(3,5-dibromopyrazin-2-yl)-2,3-dihydroxybenzamide (CID 136996675) is N-(3,5-dibromopyrazin-2-yl)-2,3-dihydroxybenzamide.
What is the SMILES notation for N-(3,5-dibromopyrazin-2-yl)-2,3-dihydroxybenzamide?
The canonical SMILES for N-(3,5-dibromopyrazin-2-yl)-2,3-dihydroxybenzamide is O=C(Nc1ncc(Br)nc1Br)c1cccc(O)c1O.
What is the InChIKey of N-(3,5-dibromopyrazin-2-yl)-2,3-dihydroxybenzamide?
The InChIKey is JMWUDKCSTGXPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2N3O3/c12-7-4-14-10(9(13)15-7)16-11(19)5-2-1-3-6(17)8(5)18/h1-4,17-18H,(H,14,16,19).
What are the key properties of N-(3,5-dibromopyrazin-2-yl)-2,3-dihydroxybenzamide?
N-(3,5-dibromopyrazin-2-yl)-2,3-dihydroxybenzamide has a molecular weight of 389.00 g/mol, XLogP of 2.67, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dibromopyrazin-2-yl)-2,3-dihydroxybenzamide is sourced from PubChem (CID 136996675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).