6-bromo-N-(2-iodophenyl)pyridine-3-carboxamide

C12H8BrIN2O — CID 66465043

IUPAC6-bromo-N-(2-iodophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1I)c1ccc(Br)nc1
InChIInChI=1S/C12H8BrIN2O/c13-11-6-5-8(7-15-11)12(17)16-10-4-2-1-3-9(10)14/h1-7H,(H,16,17)
InChIKeyVSOIYKYDIUHKRI-UHFFFAOYSA-N
MW403.02 g/mol
LogP3.70
Rot. Bonds2

About 6-bromo-N-(2-iodophenyl)pyridine-3-carboxamide

6-bromo-N-(2-iodophenyl)pyridine-3-carboxamide (PubChem CID 66465043) has the molecular formula C12H8BrIN2O and a molecular weight of 403.02 g/mol. Its IUPAC name is 6-bromo-N-(2-iodophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(2-iodophenyl)pyridine-3-carboxamide
PubChem CID66465043
Molecular FormulaC12H8BrIN2O
Molecular Weight403.02 g/mol
Exact Mass401.89
IUPAC Name6-bromo-N-(2-iodophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1I)c1ccc(Br)nc1
InChIInChI=1S/C12H8BrIN2O/c13-11-6-5-8(7-15-11)12(17)16-10-4-2-1-3-9(10)14/h1-7H,(H,16,17)
InChIKeyVSOIYKYDIUHKRI-UHFFFAOYSA-N
XLogP3.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.02
LogP ≤ 53.70
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-(2-anilinophenyl)-6-bromopyridine-3-carboxamide
CID 89461171
6-bromo-N-[2-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 66462709
6-bromo-N-(2-tert-butylphenyl)pyridine-3-carboxamide
CID 66463109
6-bromo-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-3-carboxamide
CID 66464448
6-bromo-N-[2-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide
CID 66464873
6-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyridine-3-carboxamide
CID 66462324
6-bromo-N-quinolin-8-ylpyridine-3-carboxamide
CID 66463068
N-(2-iodophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 62166866
4-[(2-iodophenyl)carbamoyl]benzoic acid
CID 43386509
6-bromo-N-(2-bromo-5-fluorophenyl)pyridine-3-carboxamide
CID 103753509
N-(2-iodophenyl)quinoline-3-carboxamide
CID 139568501
6-bromo-N-(6-bromo-2-pyridinyl)pyridine-3-carboxamide
CID 59408764

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-iodophenyl)pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-(2-iodophenyl)pyridine-3-carboxamide (CID 66465043) is 6-bromo-N-(2-iodophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(2-iodophenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-(2-iodophenyl)pyridine-3-carboxamide is O=C(Nc1ccccc1I)c1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N-(2-iodophenyl)pyridine-3-carboxamide?
The InChIKey is VSOIYKYDIUHKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrIN2O/c13-11-6-5-8(7-15-11)12(17)16-10-4-2-1-3-9(10)14/h1-7H,(H,16,17).
What are the key properties of 6-bromo-N-(2-iodophenyl)pyridine-3-carboxamide?
6-bromo-N-(2-iodophenyl)pyridine-3-carboxamide has a molecular weight of 403.02 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-iodophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 66465043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).