N-(5-bromo-2-pyridinyl)-5-hydroxy-2-nitrobenzamide

C12H8BrN3O4 — CID 102740957

IUPACN-(5-bromo-2-pyridinyl)-5-hydroxy-2-nitrobenzamide
SMILESO=C(Nc1ccc(Br)cn1)c1cc(O)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H8BrN3O4/c13-7-1-4-11(14-6-7)15-12(18)9-5-8(17)2-3-10(9)16(19)20/h1-6,17H,(H,14,15,18)
InChIKeyVPEBNXSEEXJQDZ-UHFFFAOYSA-N
MW338.12 g/mol
LogP2.71
Rot. Bonds3

About N-(5-bromo-2-pyridinyl)-5-hydroxy-2-nitrobenzamide

N-(5-bromo-2-pyridinyl)-5-hydroxy-2-nitrobenzamide (PubChem CID 102740957) has the molecular formula C12H8BrN3O4 and a molecular weight of 338.12 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-5-hydroxy-2-nitrobenzamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-5-hydroxy-2-nitrobenzamide
PubChem CID102740957
Molecular FormulaC12H8BrN3O4
Molecular Weight338.12 g/mol
Exact Mass336.97
IUPAC NameN-(5-bromo-2-pyridinyl)-5-hydroxy-2-nitrobenzamide
SMILESO=C(Nc1ccc(Br)cn1)c1cc(O)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H8BrN3O4/c13-7-1-4-11(14-6-7)15-12(18)9-5-8(17)2-3-10(9)16(19)20/h1-6,17H,(H,14,15,18)
InChIKeyVPEBNXSEEXJQDZ-UHFFFAOYSA-N
XLogP2.71
TPSA105.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.12
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-bromopyrazin-2-yl)-5-hydroxy-2-nitrobenzamide
CID 107076134
N-(2,5-dibromophenyl)-5-hydroxy-2-nitrobenzamide
CID 102741517
2-amino-N-(5-bromo-2-pyridinyl)-5-nitrobenzamide
CID 62155081
N-(5-bromo-2-pyridinyl)-3-methoxy-4-nitrobenzamide
CID 115602061
5-hydroxy-2-nitro-N-pyrimidin-5-ylbenzamide
CID 107588882
N-(5-bromo-2-pyridinyl)-4-(methylamino)-3-nitrobenzamide
CID 60650974
N-(5-bromo-2-pyridinyl)-1-methyl-4-nitropyrazole-3-carboxamide
CID 844632
N-(4,6-dimethylpyrimidin-2-yl)-5-hydroxy-2-nitrobenzamide
CID 102740712
5-bromo-N-(6-methyl-5-nitro-2-pyridinyl)pyridine-2-carboxamide
CID 75513075
5-chloro-N-(5-chloropyrazin-2-yl)-2-nitrobenzamide
CID 107595832
N-(5-bromo-2-pyridinyl)-1-methyl-4-nitropyrrole-2-carboxamide
CID 60699295
5-hydrazinyl-N-(5-methyl-2-pyridinyl)-2-nitrobenzamide
CID 62238212

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-5-hydroxy-2-nitrobenzamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-5-hydroxy-2-nitrobenzamide (CID 102740957) is N-(5-bromo-2-pyridinyl)-5-hydroxy-2-nitrobenzamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-5-hydroxy-2-nitrobenzamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-5-hydroxy-2-nitrobenzamide is O=C(Nc1ccc(Br)cn1)c1cc(O)ccc1[N+](=O)[O-].
What is the InChIKey of N-(5-bromo-2-pyridinyl)-5-hydroxy-2-nitrobenzamide?
The InChIKey is VPEBNXSEEXJQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3O4/c13-7-1-4-11(14-6-7)15-12(18)9-5-8(17)2-3-10(9)16(19)20/h1-6,17H,(H,14,15,18).
What are the key properties of N-(5-bromo-2-pyridinyl)-5-hydroxy-2-nitrobenzamide?
N-(5-bromo-2-pyridinyl)-5-hydroxy-2-nitrobenzamide has a molecular weight of 338.12 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-5-hydroxy-2-nitrobenzamide is sourced from PubChem (CID 102740957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).