N-(5-bromo-2-pyridinyl)-2-iodo-3-methylbenzamide

C13H10BrIN2O — CID 103617949

IUPACN-(5-bromo-2-pyridinyl)-2-iodo-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(Br)cn2)c1I
InChIInChI=1S/C13H10BrIN2O/c1-8-3-2-4-10(12(8)15)13(18)17-11-6-5-9(14)7-16-11/h2-7H,1H3,(H,16,17,18)
InChIKeyXDUJTQHFWDOQEJ-UHFFFAOYSA-N
MW417.04 g/mol
LogP4.01
Rot. Bonds2

About N-(5-bromo-2-pyridinyl)-2-iodo-3-methylbenzamide

N-(5-bromo-2-pyridinyl)-2-iodo-3-methylbenzamide (PubChem CID 103617949) has the molecular formula C13H10BrIN2O and a molecular weight of 417.04 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-iodo-3-methylbenzamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-iodo-3-methylbenzamide
PubChem CID103617949
Molecular FormulaC13H10BrIN2O
Molecular Weight417.04 g/mol
Exact Mass415.90
IUPAC NameN-(5-bromo-2-pyridinyl)-2-iodo-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(Br)cn2)c1I
InChIInChI=1S/C13H10BrIN2O/c1-8-3-2-4-10(12(8)15)13(18)17-11-6-5-9(14)7-16-11/h2-7H,1H3,(H,16,17,18)
InChIKeyXDUJTQHFWDOQEJ-UHFFFAOYSA-N
XLogP4.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.04
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-3-methyl-N-(5-methyl-2-pyridinyl)benzamide
CID 39718566
N-(5-bromo-2-pyridinyl)-2-iodobenzamide
CID 17019973
N-(5-chloropyrazin-2-yl)-2-iodo-3-methylbenzamide
CID 114029858
2-amino-N-(5-bromo-2-pyridinyl)-6-methylbenzamide
CID 28893236
2-amino-N-(5-bromo-2-pyridinyl)benzamide
CID 13348356
2-acetamido-N-(5-bromo-2-pyridinyl)benzamide
CID 166872715
N-(3-bromo-5-methylphenyl)-2-iodo-3-methylbenzamide
CID 114030738
N-(5-bromo-2-pyridinyl)-2,3-dimethoxybenzamide
CID 23931504
N-(5-bromo-2-pyridinyl)-2-[(2-chlorobenzoyl)amino]benzamide
CID 1268365
N-[(1S)-1-(4-bromophenyl)ethyl]-2-iodo-3-methylbenzamide
CID 39708887
N-(6-bromo-2-methyl-3-pyridinyl)-2-iodo-3-methylbenzamide
CID 113349911
N-(5-bromo-2-pyridinyl)-4-iodobenzamide
CID 4066488

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-iodo-3-methylbenzamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-iodo-3-methylbenzamide (CID 103617949) is N-(5-bromo-2-pyridinyl)-2-iodo-3-methylbenzamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-iodo-3-methylbenzamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-iodo-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc(Br)cn2)c1I.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-iodo-3-methylbenzamide?
The InChIKey is XDUJTQHFWDOQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrIN2O/c1-8-3-2-4-10(12(8)15)13(18)17-11-6-5-9(14)7-16-11/h2-7H,1H3,(H,16,17,18).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-iodo-3-methylbenzamide?
N-(5-bromo-2-pyridinyl)-2-iodo-3-methylbenzamide has a molecular weight of 417.04 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-iodo-3-methylbenzamide is sourced from PubChem (CID 103617949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).