N-(2-bromo-5-iodophenyl)-6-oxo-1H-pyridine-3-carboxamide

C12H8BrIN2O2 — CID 113231003

IUPACN-(2-bromo-5-iodophenyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1cc(I)ccc1Br)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H8BrIN2O2/c13-9-3-2-8(14)5-10(9)16-12(18)7-1-4-11(17)15-6-7/h1-6H,(H,15,17)(H,16,18)
InChIKeyMBSAKTIWVHZJMN-UHFFFAOYSA-N
MW419.02 g/mol
LogP2.99
Rot. Bonds2

About N-(2-bromo-5-iodophenyl)-6-oxo-1H-pyridine-3-carboxamide

N-(2-bromo-5-iodophenyl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 113231003) has the molecular formula C12H8BrIN2O2 and a molecular weight of 419.02 g/mol. Its IUPAC name is N-(2-bromo-5-iodophenyl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-iodophenyl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID113231003
Molecular FormulaC12H8BrIN2O2
Molecular Weight419.02 g/mol
Exact Mass417.88
IUPAC NameN-(2-bromo-5-iodophenyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1cc(I)ccc1Br)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H8BrIN2O2/c13-9-3-2-8(14)5-10(9)16-12(18)7-1-4-11(17)15-6-7/h1-6H,(H,15,17)(H,16,18)
InChIKeyMBSAKTIWVHZJMN-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-(2-bromo-5-methylphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 82707211
N-(4-bromo-2,5-difluorophenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 103842478
N-(4-bromo-3-fluorophenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 65435783
5-bromo-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid
CID 45340154
N-(5-iodo-2-pyridinyl)-6-oxo-1H-pyridine-3-carboxamide
CID 65098497
N-(3-fluoro-2-iodophenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 113340932
4-bromo-3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]benzoic acid
CID 107812438
N-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 8840517
N-(2-fluoro-5-methylphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 28825950
4-bromo-3-[[4-[(2-bromo-5-carboxyphenyl)carbamoyl]benzoyl]amino]benzoic acid
CID 102504163
N-(4-fluorophenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 8745096
N-(2-chloro-4,5-dimethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 60709422

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-iodophenyl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-bromo-5-iodophenyl)-6-oxo-1H-pyridine-3-carboxamide (CID 113231003) is N-(2-bromo-5-iodophenyl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-bromo-5-iodophenyl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-bromo-5-iodophenyl)-6-oxo-1H-pyridine-3-carboxamide is O=C(Nc1cc(I)ccc1Br)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(2-bromo-5-iodophenyl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is MBSAKTIWVHZJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrIN2O2/c13-9-3-2-8(14)5-10(9)16-12(18)7-1-4-11(17)15-6-7/h1-6H,(H,15,17)(H,16,18).
What are the key properties of N-(2-bromo-5-iodophenyl)-6-oxo-1H-pyridine-3-carboxamide?
N-(2-bromo-5-iodophenyl)-6-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-(2-bromo-5-iodophenyl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 113231003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).