N-(5-bromopyrazin-2-yl)-5-hydroxy-2-nitrobenzamide

C11H7BrN4O4 — CID 107076134

IUPACN-(5-bromopyrazin-2-yl)-5-hydroxy-2-nitrobenzamide
SMILESO=C(Nc1cnc(Br)cn1)c1cc(O)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H7BrN4O4/c12-9-4-14-10(5-13-9)15-11(18)7-3-6(17)1-2-8(7)16(19)20/h1-5,17H,(H,14,15,18)
InChIKeyPHHZNSGPJNSVDL-UHFFFAOYSA-N
MW339.11 g/mol
LogP2.11
Rot. Bonds3

About N-(5-bromopyrazin-2-yl)-5-hydroxy-2-nitrobenzamide

N-(5-bromopyrazin-2-yl)-5-hydroxy-2-nitrobenzamide (PubChem CID 107076134) has the molecular formula C11H7BrN4O4 and a molecular weight of 339.11 g/mol. Its IUPAC name is N-(5-bromopyrazin-2-yl)-5-hydroxy-2-nitrobenzamide.

Molecular Properties

Compound NameN-(5-bromopyrazin-2-yl)-5-hydroxy-2-nitrobenzamide
PubChem CID107076134
Molecular FormulaC11H7BrN4O4
Molecular Weight339.11 g/mol
Exact Mass337.97
IUPAC NameN-(5-bromopyrazin-2-yl)-5-hydroxy-2-nitrobenzamide
SMILESO=C(Nc1cnc(Br)cn1)c1cc(O)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H7BrN4O4/c12-9-4-14-10(5-13-9)15-11(18)7-3-6(17)1-2-8(7)16(19)20/h1-5,17H,(H,14,15,18)
InChIKeyPHHZNSGPJNSVDL-UHFFFAOYSA-N
XLogP2.11
TPSA118.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.11
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-2-pyridinyl)-5-hydroxy-2-nitrobenzamide
CID 102740957
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CID 115937226
5-hydroxy-2-nitro-N-pyrimidin-5-ylbenzamide
CID 107588882
5-chloro-N-(5-chloropyrazin-2-yl)-2-nitrobenzamide
CID 107595832
N-(2,5-dibromophenyl)-5-hydroxy-2-nitrobenzamide
CID 102741517
N-(5-chloropyrazin-2-yl)-5-fluoro-2-nitrobenzamide
CID 107595834
3-amino-N-(5-bromopyrazin-2-yl)-2-nitrobenzamide
CID 115549218
N-(4,6-dimethylpyrimidin-2-yl)-5-hydroxy-2-nitrobenzamide
CID 102740712
N-(5-bromopyrazin-2-yl)-2,3-dihydroxybenzamide
CID 137001059
N-(5-bromopyrazin-2-yl)-3-hydroxypyridine-4-carboxamide
CID 81443745
5-hydroxy-N',N'-dimethyl-2-nitrobenzohydrazide
CID 107076386
5-hydroxy-N-(4-methylsulfanylphenyl)-2-nitrobenzamide
CID 102740539

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopyrazin-2-yl)-5-hydroxy-2-nitrobenzamide?
The IUPAC name of N-(5-bromopyrazin-2-yl)-5-hydroxy-2-nitrobenzamide (CID 107076134) is N-(5-bromopyrazin-2-yl)-5-hydroxy-2-nitrobenzamide.
What is the SMILES notation for N-(5-bromopyrazin-2-yl)-5-hydroxy-2-nitrobenzamide?
The canonical SMILES for N-(5-bromopyrazin-2-yl)-5-hydroxy-2-nitrobenzamide is O=C(Nc1cnc(Br)cn1)c1cc(O)ccc1[N+](=O)[O-].
What is the InChIKey of N-(5-bromopyrazin-2-yl)-5-hydroxy-2-nitrobenzamide?
The InChIKey is PHHZNSGPJNSVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN4O4/c12-9-4-14-10(5-13-9)15-11(18)7-3-6(17)1-2-8(7)16(19)20/h1-5,17H,(H,14,15,18).
What are the key properties of N-(5-bromopyrazin-2-yl)-5-hydroxy-2-nitrobenzamide?
N-(5-bromopyrazin-2-yl)-5-hydroxy-2-nitrobenzamide has a molecular weight of 339.11 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopyrazin-2-yl)-5-hydroxy-2-nitrobenzamide is sourced from PubChem (CID 107076134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).