3-[(3-bromo-5-chloro-2-pyridinyl)oxy]benzamide

C12H8BrClN2O2 — CID 114837598

IUPAC3-[(3-bromo-5-chloro-2-pyridinyl)oxy]benzamide
SMILESNC(=O)c1cccc(Oc2ncc(Cl)cc2Br)c1
InChIInChI=1S/C12H8BrClN2O2/c13-10-5-8(14)6-16-12(10)18-9-3-1-2-7(4-9)11(15)17/h1-6H,(H2,15,17)
InChIKeyUMMMTLZCKLCZEN-UHFFFAOYSA-N
MW327.57 g/mol
LogP3.39
Rot. Bonds3

About 3-[(3-bromo-5-chloro-2-pyridinyl)oxy]benzamide

3-[(3-bromo-5-chloro-2-pyridinyl)oxy]benzamide (PubChem CID 114837598) has the molecular formula C12H8BrClN2O2 and a molecular weight of 327.57 g/mol. Its IUPAC name is 3-[(3-bromo-5-chloro-2-pyridinyl)oxy]benzamide.

Molecular Properties

Compound Name3-[(3-bromo-5-chloro-2-pyridinyl)oxy]benzamide
PubChem CID114837598
Molecular FormulaC12H8BrClN2O2
Molecular Weight327.57 g/mol
Exact Mass325.95
IUPAC Name3-[(3-bromo-5-chloro-2-pyridinyl)oxy]benzamide
SMILESNC(=O)c1cccc(Oc2ncc(Cl)cc2Br)c1
InChIInChI=1S/C12H8BrClN2O2/c13-10-5-8(14)6-16-12(10)18-9-3-1-2-7(4-9)11(15)17/h1-6H,(H2,15,17)
InChIKeyUMMMTLZCKLCZEN-UHFFFAOYSA-N
XLogP3.39
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.57
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(3-bromo-5-chloro-2-pyridinyl)oxy]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-5-chloro-2-(3-methylphenoxy)pyridine
CID 114837538
3-bromo-5-chloro-2-(3-nitrophenoxy)pyridine
CID 114837695
2-(3-carbamoylphenoxy)pyridine-3-carboxylic acid
CID 24704749
5-chloro-2-(3-fluorophenoxy)pyridine-3-carboxamide
CID 141112034
3-(2-amino-6-chloropyrimidin-4-yl)oxybenzamide
CID 47280236
5-[(3-bromo-5-chloro-2-pyridinyl)oxy]-2-nitrobenzoic acid
CID 107077846
7-[(3-bromo-5-chloro-2-pyridinyl)oxy]quinoline
CID 107314450
3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)oxy]benzamide
CID 114676141
3-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide
CID 133409231
2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-5-methoxybenzoic acid
CID 114838080
3-(6-bromohexoxy)benzamide
CID 59402930
3-(5-chloro-2-pyridinyl)benzamide
CID 91358917

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-5-chloro-2-pyridinyl)oxy]benzamide?
The IUPAC name of 3-[(3-bromo-5-chloro-2-pyridinyl)oxy]benzamide (CID 114837598) is 3-[(3-bromo-5-chloro-2-pyridinyl)oxy]benzamide.
What is the SMILES notation for 3-[(3-bromo-5-chloro-2-pyridinyl)oxy]benzamide?
The canonical SMILES for 3-[(3-bromo-5-chloro-2-pyridinyl)oxy]benzamide is NC(=O)c1cccc(Oc2ncc(Cl)cc2Br)c1.
What is the InChIKey of 3-[(3-bromo-5-chloro-2-pyridinyl)oxy]benzamide?
The InChIKey is UMMMTLZCKLCZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN2O2/c13-10-5-8(14)6-16-12(10)18-9-3-1-2-7(4-9)11(15)17/h1-6H,(H2,15,17).
What are the key properties of 3-[(3-bromo-5-chloro-2-pyridinyl)oxy]benzamide?
3-[(3-bromo-5-chloro-2-pyridinyl)oxy]benzamide has a molecular weight of 327.57 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-5-chloro-2-pyridinyl)oxy]benzamide is sourced from PubChem (CID 114837598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).