N-(5-bromo-2-chloro-3-pyridinyl)oxane-4-carboxamide

C11H12BrClN2O2 — CID 102979329

IUPACN-(5-bromo-2-chloro-3-pyridinyl)oxane-4-carboxamide
SMILESO=C(Nc1cc(Br)cnc1Cl)C1CCOCC1
InChIInChI=1S/C11H12BrClN2O2/c12-8-5-9(10(13)14-6-8)15-11(16)7-1-3-17-4-2-7/h5-7H,1-4H2,(H,15,16)
InChIKeyDIFNMZOTYYHAOA-UHFFFAOYSA-N
MW319.59 g/mol
LogP2.86
Rot. Bonds2

About N-(5-bromo-2-chloro-3-pyridinyl)oxane-4-carboxamide

N-(5-bromo-2-chloro-3-pyridinyl)oxane-4-carboxamide (PubChem CID 102979329) has the molecular formula C11H12BrClN2O2 and a molecular weight of 319.59 g/mol. Its IUPAC name is N-(5-bromo-2-chloro-3-pyridinyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-chloro-3-pyridinyl)oxane-4-carboxamide
PubChem CID102979329
Molecular FormulaC11H12BrClN2O2
Molecular Weight319.59 g/mol
Exact Mass317.98
IUPAC NameN-(5-bromo-2-chloro-3-pyridinyl)oxane-4-carboxamide
SMILESO=C(Nc1cc(Br)cnc1Cl)C1CCOCC1
InChIInChI=1S/C11H12BrClN2O2/c12-8-5-9(10(13)14-6-8)15-11(16)7-1-3-17-4-2-7/h5-7H,1-4H2,(H,15,16)
InChIKeyDIFNMZOTYYHAOA-UHFFFAOYSA-N
XLogP2.86
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.59
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-2-chloro-3-pyridinyl)cyclopent-3-ene-1-carboxamide
CID 102979401
N-(5-bromo-2-chloro-3-pyridinyl)-2-methyloxolane-3-carboxamide
CID 102979215
N-(5-bromo-2-chloro-3-pyridinyl)-2,2-dimethylpropanamide
CID 102979113
N-(2-bromo-3-pyridinyl)oxane-4-carboxamide
CID 103819148
3-[(5-bromo-2-chloro-3-pyridinyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114051902
N-(4-bromo-2-ethylphenyl)oxane-4-carboxamide
CID 81003495
N-(5-bromo-6-chloro-3-pyridinyl)cyclopropanecarboxamide
CID 103816457
2-(2-bicyclo[2.2.1]heptanyl)-N-(5-bromo-2-chloro-3-pyridinyl)acetamide
CID 102979480
N-(5-bromo-2-chloro-3-pyridinyl)pyrimidine-5-carboxamide
CID 102979160
N-(5-bromo-2-chloro-3-pyridinyl)-3-methylbut-2-enamide
CID 102979388
N-(2-bromo-3-chlorophenyl)oxolane-3-carboxamide
CID 103479847
N-(5-bromo-2-chloro-3-pyridinyl)hydroxylamine
CID 88929261

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chloro-3-pyridinyl)oxane-4-carboxamide?
The IUPAC name of N-(5-bromo-2-chloro-3-pyridinyl)oxane-4-carboxamide (CID 102979329) is N-(5-bromo-2-chloro-3-pyridinyl)oxane-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2-chloro-3-pyridinyl)oxane-4-carboxamide?
The canonical SMILES for N-(5-bromo-2-chloro-3-pyridinyl)oxane-4-carboxamide is O=C(Nc1cc(Br)cnc1Cl)C1CCOCC1.
What is the InChIKey of N-(5-bromo-2-chloro-3-pyridinyl)oxane-4-carboxamide?
The InChIKey is DIFNMZOTYYHAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClN2O2/c12-8-5-9(10(13)14-6-8)15-11(16)7-1-3-17-4-2-7/h5-7H,1-4H2,(H,15,16).
What are the key properties of N-(5-bromo-2-chloro-3-pyridinyl)oxane-4-carboxamide?
N-(5-bromo-2-chloro-3-pyridinyl)oxane-4-carboxamide has a molecular weight of 319.59 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chloro-3-pyridinyl)oxane-4-carboxamide is sourced from PubChem (CID 102979329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).