3-bromo-N-(6-methyl-2-pyridinyl)benzamide

C13H11BrN2O — CID 603306

IUPAC3-bromo-N-(6-methyl-2-pyridinyl)benzamide
SMILESCc1cccc(NC(=O)c2cccc(Br)c2)n1
InChIInChI=1S/C13H11BrN2O/c1-9-4-2-7-12(15-9)16-13(17)10-5-3-6-11(14)8-10/h2-8H,1H3,(H,15,16,17)
InChIKeyBOCBDQIZNZCOPX-UHFFFAOYSA-N
MW291.15 g/mol
LogP3.40
Rot. Bonds2

About 3-bromo-N-(6-methyl-2-pyridinyl)benzamide

3-bromo-N-(6-methyl-2-pyridinyl)benzamide (PubChem CID 603306) has the molecular formula C13H11BrN2O and a molecular weight of 291.15 g/mol. Its IUPAC name is 3-bromo-N-(6-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(6-methyl-2-pyridinyl)benzamide
PubChem CID603306
Molecular FormulaC13H11BrN2O
Molecular Weight291.15 g/mol
Exact Mass290.01
IUPAC Name3-bromo-N-(6-methyl-2-pyridinyl)benzamide
SMILESCc1cccc(NC(=O)c2cccc(Br)c2)n1
InChIInChI=1S/C13H11BrN2O/c1-9-4-2-7-12(15-9)16-13(17)10-5-3-6-11(14)8-10/h2-8H,1H3,(H,15,16,17)
InChIKeyBOCBDQIZNZCOPX-UHFFFAOYSA-N
XLogP3.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(6-methyl-2-pyridinyl)benzamide?
The IUPAC name of 3-bromo-N-(6-methyl-2-pyridinyl)benzamide (CID 603306) is 3-bromo-N-(6-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 3-bromo-N-(6-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 3-bromo-N-(6-methyl-2-pyridinyl)benzamide is Cc1cccc(NC(=O)c2cccc(Br)c2)n1.
What is the InChIKey of 3-bromo-N-(6-methyl-2-pyridinyl)benzamide?
The InChIKey is BOCBDQIZNZCOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O/c1-9-4-2-7-12(15-9)16-13(17)10-5-3-6-11(14)8-10/h2-8H,1H3,(H,15,16,17).
What are the key properties of 3-bromo-N-(6-methyl-2-pyridinyl)benzamide?
3-bromo-N-(6-methyl-2-pyridinyl)benzamide has a molecular weight of 291.15 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(6-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 603306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).