2-bromo-N-(2-bromo-4-iodophenyl)pyridine-4-carboxamide

C12H7Br2IN2O — CID 114259076

IUPAC2-bromo-N-(2-bromo-4-iodophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(I)cc1Br)c1ccnc(Br)c1
InChIInChI=1S/C12H7Br2IN2O/c13-9-6-8(15)1-2-10(9)17-12(18)7-3-4-16-11(14)5-7/h1-6H,(H,17,18)
InChIKeyIGFLBFJJCXOUFV-UHFFFAOYSA-N
MW481.91 g/mol
LogP4.46
Rot. Bonds2

About 2-bromo-N-(2-bromo-4-iodophenyl)pyridine-4-carboxamide

2-bromo-N-(2-bromo-4-iodophenyl)pyridine-4-carboxamide (PubChem CID 114259076) has the molecular formula C12H7Br2IN2O and a molecular weight of 481.91 g/mol. Its IUPAC name is 2-bromo-N-(2-bromo-4-iodophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(2-bromo-4-iodophenyl)pyridine-4-carboxamide
PubChem CID114259076
Molecular FormulaC12H7Br2IN2O
Molecular Weight481.91 g/mol
Exact Mass479.80
IUPAC Name2-bromo-N-(2-bromo-4-iodophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(I)cc1Br)c1ccnc(Br)c1
InChIInChI=1S/C12H7Br2IN2O/c13-9-6-8(15)1-2-10(9)17-12(18)7-3-4-16-11(14)5-7/h1-6H,(H,17,18)
InChIKeyIGFLBFJJCXOUFV-UHFFFAOYSA-N
XLogP4.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.91
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(2-bromo-5-fluorophenyl)pyridine-4-carboxamide
CID 103756062
2-[2-[(2-bromopyridine-4-carbonyl)amino]phenyl]acetic acid
CID 103803916
2-bromo-N-(2-methoxy-4-methylphenyl)pyridine-4-carboxamide
CID 103754736
N-(2,4-dibromophenyl)-2-hydrazinylpyridine-4-carboxamide
CID 55051327
2-bromo-N-[2-(dimethylamino)phenyl]pyridine-4-carboxamide
CID 103752344
2-[(2-bromopyridine-4-carbonyl)amino]pyridine-4-carboxylic acid
CID 114037370
2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-4-carboxamide
CID 103752137
2-bromo-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 103758998
2-bromo-N-quinolin-5-ylpyridine-4-carboxamide
CID 103751909
2-bromo-N-(2-nitrophenyl)pyridine-4-carboxamide
CID 114037408
2-bromo-N-(5-bromo-2-methoxyphenyl)pyridine-4-carboxamide
CID 103754801
2-bromo-N-(4-bromo-2,6-difluorophenyl)pyridine-4-carboxamide
CID 103759038

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-bromo-4-iodophenyl)pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-(2-bromo-4-iodophenyl)pyridine-4-carboxamide (CID 114259076) is 2-bromo-N-(2-bromo-4-iodophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-(2-bromo-4-iodophenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-(2-bromo-4-iodophenyl)pyridine-4-carboxamide is O=C(Nc1ccc(I)cc1Br)c1ccnc(Br)c1.
What is the InChIKey of 2-bromo-N-(2-bromo-4-iodophenyl)pyridine-4-carboxamide?
The InChIKey is IGFLBFJJCXOUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2IN2O/c13-9-6-8(15)1-2-10(9)17-12(18)7-3-4-16-11(14)5-7/h1-6H,(H,17,18).
What are the key properties of 2-bromo-N-(2-bromo-4-iodophenyl)pyridine-4-carboxamide?
2-bromo-N-(2-bromo-4-iodophenyl)pyridine-4-carboxamide has a molecular weight of 481.91 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-bromo-4-iodophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 114259076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).