N-(3-bromo-4-nitrophenyl)-5-hydroxypyridine-3-carboxamide

C12H8BrN3O4 — CID 82864638

IUPACN-(3-bromo-4-nitrophenyl)-5-hydroxypyridine-3-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])c(Br)c1)c1cncc(O)c1
InChIInChI=1S/C12H8BrN3O4/c13-10-4-8(1-2-11(10)16(19)20)15-12(18)7-3-9(17)6-14-5-7/h1-6,17H,(H,15,18)
InChIKeyYDPHJFUQUAOQMX-UHFFFAOYSA-N
MW338.12 g/mol
LogP2.71
Rot. Bonds3

About N-(3-bromo-4-nitrophenyl)-5-hydroxypyridine-3-carboxamide

N-(3-bromo-4-nitrophenyl)-5-hydroxypyridine-3-carboxamide (PubChem CID 82864638) has the molecular formula C12H8BrN3O4 and a molecular weight of 338.12 g/mol. Its IUPAC name is N-(3-bromo-4-nitrophenyl)-5-hydroxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-nitrophenyl)-5-hydroxypyridine-3-carboxamide
PubChem CID82864638
Molecular FormulaC12H8BrN3O4
Molecular Weight338.12 g/mol
Exact Mass336.97
IUPAC NameN-(3-bromo-4-nitrophenyl)-5-hydroxypyridine-3-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])c(Br)c1)c1cncc(O)c1
InChIInChI=1S/C12H8BrN3O4/c13-10-4-8(1-2-11(10)16(19)20)15-12(18)7-3-9(17)6-14-5-7/h1-6,17H,(H,15,18)
InChIKeyYDPHJFUQUAOQMX-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-(4-bromophenyl)-5-hydroxypyridine-3-carboxamide
CID 63851687
N-(3-bromo-4-nitrophenyl)-6-fluoropyridine-3-carboxamide
CID 82864244
N-(3-bromo-4-nitrophenyl)-3-chloropyridine-4-carboxamide
CID 82864701
3-amino-N-(3-bromo-4-nitrophenyl)benzamide
CID 82864982
N-(3,4-difluorophenyl)-5-hydroxypyridine-3-carboxamide
CID 63864937
N-(4-aminophenyl)-5-hydroxypyridine-3-carboxamide
CID 63851550
N-(3-bromo-4-nitrophenyl)-5-iodothiophene-3-carboxamide
CID 82864413
5-amino-N-(3-bromo-4-nitrophenyl)pyridine-2-carboxamide
CID 82865202
5-hydroxy-N-(3-methylphenyl)pyridine-3-carboxamide
CID 63865627
N-(3,4-dinitrophenyl)-4-hydroxybenzamide
CID 86673990
5-hydroxy-N-(4-methylsulfanylphenyl)pyridine-3-carboxamide
CID 63864054
N-(4-chloro-3-fluorophenyl)-5-hydroxypyridine-3-carboxamide
CID 63864787

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-nitrophenyl)-5-hydroxypyridine-3-carboxamide?
The IUPAC name of N-(3-bromo-4-nitrophenyl)-5-hydroxypyridine-3-carboxamide (CID 82864638) is N-(3-bromo-4-nitrophenyl)-5-hydroxypyridine-3-carboxamide.
What is the SMILES notation for N-(3-bromo-4-nitrophenyl)-5-hydroxypyridine-3-carboxamide?
The canonical SMILES for N-(3-bromo-4-nitrophenyl)-5-hydroxypyridine-3-carboxamide is O=C(Nc1ccc([N+](=O)[O-])c(Br)c1)c1cncc(O)c1.
What is the InChIKey of N-(3-bromo-4-nitrophenyl)-5-hydroxypyridine-3-carboxamide?
The InChIKey is YDPHJFUQUAOQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3O4/c13-10-4-8(1-2-11(10)16(19)20)15-12(18)7-3-9(17)6-14-5-7/h1-6,17H,(H,15,18).
What are the key properties of N-(3-bromo-4-nitrophenyl)-5-hydroxypyridine-3-carboxamide?
N-(3-bromo-4-nitrophenyl)-5-hydroxypyridine-3-carboxamide 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-(3-bromo-4-nitrophenyl)-5-hydroxypyridine-3-carboxamide is sourced from PubChem (CID 82864638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).