N-(5-bromo-6-chloro-3-pyridinyl)-2-(oxan-2-yl)acetamide

C12H14BrClN2O2 — CID 104624706

IUPACN-(5-bromo-6-chloro-3-pyridinyl)-2-(oxan-2-yl)acetamide
SMILESO=C(CC1CCCCO1)Nc1cnc(Cl)c(Br)c1
InChIInChI=1S/C12H14BrClN2O2/c13-10-5-8(7-15-12(10)14)16-11(17)6-9-3-1-2-4-18-9/h5,7,9H,1-4,6H2,(H,16,17)
InChIKeyRJAVTIJHWQDOJT-UHFFFAOYSA-N
MW333.61 g/mol
LogP3.40
Rot. Bonds3

About N-(5-bromo-6-chloro-3-pyridinyl)-2-(oxan-2-yl)acetamide

N-(5-bromo-6-chloro-3-pyridinyl)-2-(oxan-2-yl)acetamide (PubChem CID 104624706) has the molecular formula C12H14BrClN2O2 and a molecular weight of 333.61 g/mol. Its IUPAC name is N-(5-bromo-6-chloro-3-pyridinyl)-2-(oxan-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-bromo-6-chloro-3-pyridinyl)-2-(oxan-2-yl)acetamide
PubChem CID104624706
Molecular FormulaC12H14BrClN2O2
Molecular Weight333.61 g/mol
Exact Mass331.99
IUPAC NameN-(5-bromo-6-chloro-3-pyridinyl)-2-(oxan-2-yl)acetamide
SMILESO=C(CC1CCCCO1)Nc1cnc(Cl)c(Br)c1
InChIInChI=1S/C12H14BrClN2O2/c13-10-5-8(7-15-12(10)14)16-11(17)6-9-3-1-2-4-18-9/h5,7,9H,1-4,6H2,(H,16,17)
InChIKeyRJAVTIJHWQDOJT-UHFFFAOYSA-N
XLogP3.40
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.61
LogP ≤ 53.40
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-(6-bromo-3-pyridinyl)-2-(oxan-2-yl)acetamide
CID 110614780
N-(4-bromo-3-chlorophenyl)-2-(oxolan-2-yl)acetamide
CID 103824726
N-(3,5-dimethylphenyl)-2-(oxolan-2-yl)acetamide
CID 47209277
N-(6-chloro-5-methyl-3-pyridinyl)-2-cyclohexylacetamide
CID 103730501
2-[(2S)-oxan-2-yl]-N-pyrazin-2-ylacetamide
CID 97309242
N-(5-bromo-6-chloro-3-pyridinyl)cyclopropanecarboxamide
CID 103816457
N-(3-chlorophenyl)-2-(oxolan-2-yl)acetamide
CID 47209133
2-[5-[[2-(oxolan-2-yl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107339211
2-[2-chloro-4-[[2-[(2S)-oxan-2-yl]acetyl]amino]phenoxy]acetic acid
CID 129469734
2-[2-chloro-4-[[2-(oxan-2-yl)acetyl]amino]phenoxy]acetic acid
CID 120688629
N-(3-methoxyphenyl)-2-(oxan-2-yl)acetamide
CID 110422002
N-(6-chloropyrazin-2-yl)-2-(oxolan-2-yl)acetamide
CID 104819962

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-chloro-3-pyridinyl)-2-(oxan-2-yl)acetamide?
The IUPAC name of N-(5-bromo-6-chloro-3-pyridinyl)-2-(oxan-2-yl)acetamide (CID 104624706) is N-(5-bromo-6-chloro-3-pyridinyl)-2-(oxan-2-yl)acetamide.
What is the SMILES notation for N-(5-bromo-6-chloro-3-pyridinyl)-2-(oxan-2-yl)acetamide?
The canonical SMILES for N-(5-bromo-6-chloro-3-pyridinyl)-2-(oxan-2-yl)acetamide is O=C(CC1CCCCO1)Nc1cnc(Cl)c(Br)c1.
What is the InChIKey of N-(5-bromo-6-chloro-3-pyridinyl)-2-(oxan-2-yl)acetamide?
The InChIKey is RJAVTIJHWQDOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN2O2/c13-10-5-8(7-15-12(10)14)16-11(17)6-9-3-1-2-4-18-9/h5,7,9H,1-4,6H2,(H,16,17).
What are the key properties of N-(5-bromo-6-chloro-3-pyridinyl)-2-(oxan-2-yl)acetamide?
N-(5-bromo-6-chloro-3-pyridinyl)-2-(oxan-2-yl)acetamide has a molecular weight of 333.61 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-chloro-3-pyridinyl)-2-(oxan-2-yl)acetamide is sourced from PubChem (CID 104624706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).