2-[(5-bromo-2-pyridinyl)methoxy]benzamide

C13H11BrN2O2 — CID 104809676

IUPAC2-[(5-bromo-2-pyridinyl)methoxy]benzamide
SMILESNC(=O)c1ccccc1OCc1ccc(Br)cn1
InChIInChI=1S/C13H11BrN2O2/c14-9-5-6-10(16-7-9)8-18-12-4-2-1-3-11(12)13(15)17/h1-7H,8H2,(H2,15,17)
InChIKeySBRLCYIGGNKBPA-UHFFFAOYSA-N
MW307.15 g/mol
LogP2.52
Rot. Bonds4

About 2-[(5-bromo-2-pyridinyl)methoxy]benzamide

2-[(5-bromo-2-pyridinyl)methoxy]benzamide (PubChem CID 104809676) has the molecular formula C13H11BrN2O2 and a molecular weight of 307.15 g/mol. Its IUPAC name is 2-[(5-bromo-2-pyridinyl)methoxy]benzamide.

Molecular Properties

Compound Name2-[(5-bromo-2-pyridinyl)methoxy]benzamide
PubChem CID104809676
Molecular FormulaC13H11BrN2O2
Molecular Weight307.15 g/mol
Exact Mass306.00
IUPAC Name2-[(5-bromo-2-pyridinyl)methoxy]benzamide
SMILESNC(=O)c1ccccc1OCc1ccc(Br)cn1
InChIInChI=1S/C13H11BrN2O2/c14-9-5-6-10(16-7-9)8-18-12-4-2-1-3-11(12)13(15)17/h1-7H,8H2,(H2,15,17)
InChIKeySBRLCYIGGNKBPA-UHFFFAOYSA-N
XLogP2.52
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromo-2-pyridinyl)methoxy]-5-fluorobenzoic acid
CID 113454048
2-[(5-hydrazinylpyrazin-2-yl)methoxy]benzamide
CID 103061902
2-[[5-(methylamino)pyrazin-2-yl]methoxy]benzamide
CID 103058350
2-[(4-bromo-2-fluorophenyl)methoxy]benzamide
CID 7640045
(5-bromo-2-pyridinyl)methyl acetate
CID 66893537
2-[(2-bromo-4,5-dimethoxyphenyl)methoxy]benzamide
CID 8939782
2-[(5-bromo-2-pyridinyl)methoxy]-4-methoxybenzoic acid
CID 104795960
2-[(2-methylphenyl)methoxy]benzamide
CID 7642222
2-[(4-phenylphenyl)methoxy]benzamide
CID 8011325
2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]benzamide
CID 38866514
2-(fluoromethoxy)benzamide;hydrochloride
CID 141068067
2-[(4-carbamothioylphenyl)methoxy]benzamide
CID 24702610

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-pyridinyl)methoxy]benzamide?
The IUPAC name of 2-[(5-bromo-2-pyridinyl)methoxy]benzamide (CID 104809676) is 2-[(5-bromo-2-pyridinyl)methoxy]benzamide.
What is the SMILES notation for 2-[(5-bromo-2-pyridinyl)methoxy]benzamide?
The canonical SMILES for 2-[(5-bromo-2-pyridinyl)methoxy]benzamide is NC(=O)c1ccccc1OCc1ccc(Br)cn1.
What is the InChIKey of 2-[(5-bromo-2-pyridinyl)methoxy]benzamide?
The InChIKey is SBRLCYIGGNKBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O2/c14-9-5-6-10(16-7-9)8-18-12-4-2-1-3-11(12)13(15)17/h1-7H,8H2,(H2,15,17).
What are the key properties of 2-[(5-bromo-2-pyridinyl)methoxy]benzamide?
2-[(5-bromo-2-pyridinyl)methoxy]benzamide has a molecular weight of 307.15 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-pyridinyl)methoxy]benzamide is sourced from PubChem (CID 104809676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).