2-bromo-5-iodo-N-(2-methyl-4-pyridinyl)benzamide

C13H10BrIN2O — CID 103993823

IUPAC2-bromo-5-iodo-N-(2-methyl-4-pyridinyl)benzamide
SMILESCc1cc(NC(=O)c2cc(I)ccc2Br)ccn1
InChIInChI=1S/C13H10BrIN2O/c1-8-6-10(4-5-16-8)17-13(18)11-7-9(15)2-3-12(11)14/h2-7H,1H3,(H,16,17,18)
InChIKeyJNZXNMRJDKULAZ-UHFFFAOYSA-N
MW417.04 g/mol
LogP4.01
Rot. Bonds2

About 2-bromo-5-iodo-N-(2-methyl-4-pyridinyl)benzamide

2-bromo-5-iodo-N-(2-methyl-4-pyridinyl)benzamide (PubChem CID 103993823) has the molecular formula C13H10BrIN2O and a molecular weight of 417.04 g/mol. Its IUPAC name is 2-bromo-5-iodo-N-(2-methyl-4-pyridinyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-iodo-N-(2-methyl-4-pyridinyl)benzamide
PubChem CID103993823
Molecular FormulaC13H10BrIN2O
Molecular Weight417.04 g/mol
Exact Mass415.90
IUPAC Name2-bromo-5-iodo-N-(2-methyl-4-pyridinyl)benzamide
SMILESCc1cc(NC(=O)c2cc(I)ccc2Br)ccn1
InChIInChI=1S/C13H10BrIN2O/c1-8-6-10(4-5-16-8)17-13(18)11-7-9(15)2-3-12(11)14/h2-7H,1H3,(H,16,17,18)
InChIKeyJNZXNMRJDKULAZ-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-bromo-N-(2-methyl-4-pyridinyl)-5-nitrobenzamide
CID 79240934
3-bromo-2-methyl-N-(2-methyl-4-pyridinyl)benzamide
CID 79035679
2-bromo-5-iodo-N-pyrimidin-2-ylbenzamide
CID 103993852
2-amino-N-(2-methyl-4-pyridinyl)benzamide
CID 79235729
2-bromo-N-(2-methyl-4-pyridinyl)-4-(trifluoromethyl)benzamide
CID 154990210
2-bromo-N-(4-iodophenyl)-5-methylbenzamide
CID 81109566
2-bromo-N-(3-ethoxyphenyl)-5-iodobenzamide
CID 103989258
2,5-dimethyl-N-(2-methyl-4-pyridinyl)thiophene-3-carboxamide
CID 110705565
2-bromo-N-(4-chloro-6-methylpyrimidin-2-yl)-5-iodobenzamide
CID 114052924
5-chloro-4-iodo-2-methoxy-N-(2-methyl-4-pyridinyl)benzamide
CID 112820278
2-bromo-N-(5-bromo-2-pyridinyl)-5-iodobenzamide
CID 114027500
3-bromo-4-chloro-N-(2-methyl-4-pyridinyl)benzamide
CID 110678414

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-iodo-N-(2-methyl-4-pyridinyl)benzamide?
The IUPAC name of 2-bromo-5-iodo-N-(2-methyl-4-pyridinyl)benzamide (CID 103993823) is 2-bromo-5-iodo-N-(2-methyl-4-pyridinyl)benzamide.
What is the SMILES notation for 2-bromo-5-iodo-N-(2-methyl-4-pyridinyl)benzamide?
The canonical SMILES for 2-bromo-5-iodo-N-(2-methyl-4-pyridinyl)benzamide is Cc1cc(NC(=O)c2cc(I)ccc2Br)ccn1.
What is the InChIKey of 2-bromo-5-iodo-N-(2-methyl-4-pyridinyl)benzamide?
The InChIKey is JNZXNMRJDKULAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrIN2O/c1-8-6-10(4-5-16-8)17-13(18)11-7-9(15)2-3-12(11)14/h2-7H,1H3,(H,16,17,18).
What are the key properties of 2-bromo-5-iodo-N-(2-methyl-4-pyridinyl)benzamide?
2-bromo-5-iodo-N-(2-methyl-4-pyridinyl)benzamide 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 2-bromo-5-iodo-N-(2-methyl-4-pyridinyl)benzamide is sourced from PubChem (CID 103993823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).