N-(6-bromo-3-pyridinyl)-3-chloro-4-iodobenzamide

C12H7BrClIN2O — CID 114051737

IUPACN-(6-bromo-3-pyridinyl)-3-chloro-4-iodobenzamide
SMILESO=C(Nc1ccc(Br)nc1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C12H7BrClIN2O/c13-11-4-2-8(6-16-11)17-12(18)7-1-3-10(15)9(14)5-7/h1-6H,(H,17,18)
InChIKeyZXOUKYGPWLHKCW-UHFFFAOYSA-N
MW437.46 g/mol
LogP4.35
Rot. Bonds2

About N-(6-bromo-3-pyridinyl)-3-chloro-4-iodobenzamide

N-(6-bromo-3-pyridinyl)-3-chloro-4-iodobenzamide (PubChem CID 114051737) has the molecular formula C12H7BrClIN2O and a molecular weight of 437.46 g/mol. Its IUPAC name is N-(6-bromo-3-pyridinyl)-3-chloro-4-iodobenzamide.

Molecular Properties

Compound NameN-(6-bromo-3-pyridinyl)-3-chloro-4-iodobenzamide
PubChem CID114051737
Molecular FormulaC12H7BrClIN2O
Molecular Weight437.46 g/mol
Exact Mass435.85
IUPAC NameN-(6-bromo-3-pyridinyl)-3-chloro-4-iodobenzamide
SMILESO=C(Nc1ccc(Br)nc1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C12H7BrClIN2O/c13-11-4-2-8(6-16-11)17-12(18)7-1-3-10(15)9(14)5-7/h1-6H,(H,17,18)
InChIKeyZXOUKYGPWLHKCW-UHFFFAOYSA-N
XLogP4.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 54.35
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

N-(6-bromo-5-methyl-3-pyridinyl)-3-chloro-4-iodobenzamide
CID 114050472
N-(4-bromo-3-chlorophenyl)-3-chloro-4-iodobenzamide
CID 107613087
N-(6-bromo-3-pyridinyl)-6-chloropyridine-3-carboxamide
CID 103789282
6-bromo-N-(6-chloro-3-pyridinyl)pyridine-3-carboxamide
CID 79420958
N-(3-amino-4-bromophenyl)-3-chloro-4-iodobenzamide
CID 103218765
N-(6-bromo-3-pyridinyl)-4-fluorobenzamide
CID 44602373
6-bromo-N-(3-chloro-4-methylphenyl)pyridine-3-carboxamide
CID 66462281
3-bromo-4-chloro-N-(6-chloro-3-pyridinyl)benzamide
CID 113329917
3-chloro-4-iodo-N-(1-methylpyrazol-4-yl)benzamide
CID 103734986
3-chloro-N-(1H-indazol-5-yl)-4-iodobenzamide
CID 103221440
3-chloro-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-4-iodobenzamide
CID 103222262
3-chloro-N-(3,4-dicyanophenyl)-4-iodobenzamide
CID 103738054

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-pyridinyl)-3-chloro-4-iodobenzamide?
The IUPAC name of N-(6-bromo-3-pyridinyl)-3-chloro-4-iodobenzamide (CID 114051737) is N-(6-bromo-3-pyridinyl)-3-chloro-4-iodobenzamide.
What is the SMILES notation for N-(6-bromo-3-pyridinyl)-3-chloro-4-iodobenzamide?
The canonical SMILES for N-(6-bromo-3-pyridinyl)-3-chloro-4-iodobenzamide is O=C(Nc1ccc(Br)nc1)c1ccc(I)c(Cl)c1.
What is the InChIKey of N-(6-bromo-3-pyridinyl)-3-chloro-4-iodobenzamide?
The InChIKey is ZXOUKYGPWLHKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClIN2O/c13-11-4-2-8(6-16-11)17-12(18)7-1-3-10(15)9(14)5-7/h1-6H,(H,17,18).
What are the key properties of N-(6-bromo-3-pyridinyl)-3-chloro-4-iodobenzamide?
N-(6-bromo-3-pyridinyl)-3-chloro-4-iodobenzamide has a molecular weight of 437.46 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3-pyridinyl)-3-chloro-4-iodobenzamide is sourced from PubChem (CID 114051737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).