N-(6-bromo-2-methyl-3-pyridinyl)-2-iodo-3-methylbenzamide

C14H12BrIN2O — CID 113349911

IUPACN-(6-bromo-2-methyl-3-pyridinyl)-2-iodo-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(Br)nc2C)c1I
InChIInChI=1S/C14H12BrIN2O/c1-8-4-3-5-10(13(8)16)14(19)18-11-6-7-12(15)17-9(11)2/h3-7H,1-2H3,(H,18,19)
InChIKeyHVTCYPBJDGKKQW-UHFFFAOYSA-N
MW431.07 g/mol
LogP4.32
Rot. Bonds2

About N-(6-bromo-2-methyl-3-pyridinyl)-2-iodo-3-methylbenzamide

N-(6-bromo-2-methyl-3-pyridinyl)-2-iodo-3-methylbenzamide (PubChem CID 113349911) has the molecular formula C14H12BrIN2O and a molecular weight of 431.07 g/mol. Its IUPAC name is N-(6-bromo-2-methyl-3-pyridinyl)-2-iodo-3-methylbenzamide.

Molecular Properties

Compound NameN-(6-bromo-2-methyl-3-pyridinyl)-2-iodo-3-methylbenzamide
PubChem CID113349911
Molecular FormulaC14H12BrIN2O
Molecular Weight431.07 g/mol
Exact Mass429.92
IUPAC NameN-(6-bromo-2-methyl-3-pyridinyl)-2-iodo-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(Br)nc2C)c1I
InChIInChI=1S/C14H12BrIN2O/c1-8-4-3-5-10(13(8)16)14(19)18-11-6-7-12(15)17-9(11)2/h3-7H,1-2H3,(H,18,19)
InChIKeyHVTCYPBJDGKKQW-UHFFFAOYSA-N
XLogP4.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.07
LogP ≤ 54.32
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-2-methyl-3-pyridinyl)-2-ethylbenzamide
CID 103909504
N-(6-bromo-2-methyl-3-pyridinyl)-2-fluoropyridine-3-carboxamide
CID 114050876
N-(6-bromo-2-methyl-3-pyridinyl)-4-fluoro-2-methylbenzamide
CID 113349854
N-(6-bromo-2-methyl-3-pyridinyl)-4-chloro-2-methylbenzamide
CID 103909568
N-(2-bromo-5-methylphenyl)-2-iodo-3-methylbenzamide
CID 103867045
2,5-dibromo-N-(6-bromo-2-methyl-3-pyridinyl)benzamide
CID 104920609
N-(6-bromo-2-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 103909689
N-(5-bromo-2-pyridinyl)-2-iodo-3-methylbenzamide
CID 103617949
N-(4-amino-2-methylphenyl)-2-iodo-3-methylbenzamide
CID 103807583
N-(6-bromo-2-methyl-3-pyridinyl)-2,5-difluorobenzamide
CID 103909591
2-iodo-N-(5-iodo-2-methylphenyl)-3-methylbenzamide
CID 114257116
2-bromo-N-(6-chloro-2-methyl-3-pyridinyl)benzamide
CID 107301024

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)-2-iodo-3-methylbenzamide?
The IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)-2-iodo-3-methylbenzamide (CID 113349911) is N-(6-bromo-2-methyl-3-pyridinyl)-2-iodo-3-methylbenzamide.
What is the SMILES notation for N-(6-bromo-2-methyl-3-pyridinyl)-2-iodo-3-methylbenzamide?
The canonical SMILES for N-(6-bromo-2-methyl-3-pyridinyl)-2-iodo-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc(Br)nc2C)c1I.
What is the InChIKey of N-(6-bromo-2-methyl-3-pyridinyl)-2-iodo-3-methylbenzamide?
The InChIKey is HVTCYPBJDGKKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrIN2O/c1-8-4-3-5-10(13(8)16)14(19)18-11-6-7-12(15)17-9(11)2/h3-7H,1-2H3,(H,18,19).
What are the key properties of N-(6-bromo-2-methyl-3-pyridinyl)-2-iodo-3-methylbenzamide?
N-(6-bromo-2-methyl-3-pyridinyl)-2-iodo-3-methylbenzamide has a molecular weight of 431.07 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-methyl-3-pyridinyl)-2-iodo-3-methylbenzamide is sourced from PubChem (CID 113349911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).