N-(3-bromo-4-iodophenyl)-2-oxo-1H-pyridine-3-carboxamide

C12H8BrIN2O2 — CID 114262173

IUPACN-(3-bromo-4-iodophenyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1ccc(I)c(Br)c1)c1ccc[nH]c1=O
InChIInChI=1S/C12H8BrIN2O2/c13-9-6-7(3-4-10(9)14)16-12(18)8-2-1-5-15-11(8)17/h1-6H,(H,15,17)(H,16,18)
InChIKeyYUEICZUUGDFHPX-UHFFFAOYSA-N
MW419.02 g/mol
LogP2.99
Rot. Bonds2

About N-(3-bromo-4-iodophenyl)-2-oxo-1H-pyridine-3-carboxamide

N-(3-bromo-4-iodophenyl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 114262173) has the molecular formula C12H8BrIN2O2 and a molecular weight of 419.02 g/mol. Its IUPAC name is N-(3-bromo-4-iodophenyl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-iodophenyl)-2-oxo-1H-pyridine-3-carboxamide
PubChem CID114262173
Molecular FormulaC12H8BrIN2O2
Molecular Weight419.02 g/mol
Exact Mass417.88
IUPAC NameN-(3-bromo-4-iodophenyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1ccc(I)c(Br)c1)c1ccc[nH]c1=O
InChIInChI=1S/C12H8BrIN2O2/c13-9-6-7(3-4-10(9)14)16-12(18)8-2-1-5-15-11(8)17/h1-6H,(H,15,17)(H,16,18)
InChIKeyYUEICZUUGDFHPX-UHFFFAOYSA-N
XLogP2.99
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.02
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-3-iodophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 114259349
N-(4-bromo-3-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 65436030
N-(3-iodophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 60653882
N-(3,4-dichlorophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 110692742
N-(2-bromophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 43111877
N-(3-chloro-4-hydroxyphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 64787521
N-(3,5-dichlorophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 110692745
N-(5-benzamido-2-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 51120342
N-(4-ethylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 17476623
N-(4-methylsulfanylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 42371486
N-(2-methyl-4-pyridinyl)-2-oxo-1H-pyridine-3-carboxamide
CID 110692738
N-(3-bromo-4-hydroxyphenyl)-2-iodobenzamide
CID 5090164

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-iodophenyl)-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(3-bromo-4-iodophenyl)-2-oxo-1H-pyridine-3-carboxamide (CID 114262173) is N-(3-bromo-4-iodophenyl)-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(3-bromo-4-iodophenyl)-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(3-bromo-4-iodophenyl)-2-oxo-1H-pyridine-3-carboxamide is O=C(Nc1ccc(I)c(Br)c1)c1ccc[nH]c1=O.
What is the InChIKey of N-(3-bromo-4-iodophenyl)-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is YUEICZUUGDFHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrIN2O2/c13-9-6-7(3-4-10(9)14)16-12(18)8-2-1-5-15-11(8)17/h1-6H,(H,15,17)(H,16,18).
What are the key properties of N-(3-bromo-4-iodophenyl)-2-oxo-1H-pyridine-3-carboxamide?
N-(3-bromo-4-iodophenyl)-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 419.02 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-iodophenyl)-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 114262173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).