2-(6-bromo-2-pyridinyl)-N-(2-chloroethyl)acetamide

C9H10BrClN2O — CID 58349430

IUPAC2-(6-bromo-2-pyridinyl)-N-(2-chloroethyl)acetamide
SMILESO=C(Cc1cccc(Br)n1)NCCCl
InChIInChI=1S/C9H10BrClN2O/c10-8-3-1-2-7(13-8)6-9(14)12-5-4-11/h1-3H,4-6H2,(H,12,14)
InChIKeyHRHTUKDCYIKABQ-UHFFFAOYSA-N
MW277.55 g/mol
LogP1.74
Rot. Bonds4

About 2-(6-bromo-2-pyridinyl)-N-(2-chloroethyl)acetamide

2-(6-bromo-2-pyridinyl)-N-(2-chloroethyl)acetamide (PubChem CID 58349430) has the molecular formula C9H10BrClN2O and a molecular weight of 277.55 g/mol. Its IUPAC name is 2-(6-bromo-2-pyridinyl)-N-(2-chloroethyl)acetamide.

Molecular Properties

Compound Name2-(6-bromo-2-pyridinyl)-N-(2-chloroethyl)acetamide
PubChem CID58349430
Molecular FormulaC9H10BrClN2O
Molecular Weight277.55 g/mol
Exact Mass275.97
IUPAC Name2-(6-bromo-2-pyridinyl)-N-(2-chloroethyl)acetamide
SMILESO=C(Cc1cccc(Br)n1)NCCCl
InChIInChI=1S/C9H10BrClN2O/c10-8-3-1-2-7(13-8)6-9(14)12-5-4-11/h1-3H,4-6H2,(H,12,14)
InChIKeyHRHTUKDCYIKABQ-UHFFFAOYSA-N
XLogP1.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.55
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2-pyridinyl)-N-(2-chloroethyl)acetamide?
The IUPAC name of 2-(6-bromo-2-pyridinyl)-N-(2-chloroethyl)acetamide (CID 58349430) is 2-(6-bromo-2-pyridinyl)-N-(2-chloroethyl)acetamide.
What is the SMILES notation for 2-(6-bromo-2-pyridinyl)-N-(2-chloroethyl)acetamide?
The canonical SMILES for 2-(6-bromo-2-pyridinyl)-N-(2-chloroethyl)acetamide is O=C(Cc1cccc(Br)n1)NCCCl.
What is the InChIKey of 2-(6-bromo-2-pyridinyl)-N-(2-chloroethyl)acetamide?
The InChIKey is HRHTUKDCYIKABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClN2O/c10-8-3-1-2-7(13-8)6-9(14)12-5-4-11/h1-3H,4-6H2,(H,12,14).
What are the key properties of 2-(6-bromo-2-pyridinyl)-N-(2-chloroethyl)acetamide?
2-(6-bromo-2-pyridinyl)-N-(2-chloroethyl)acetamide has a molecular weight of 277.55 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-pyridinyl)-N-(2-chloroethyl)acetamide is sourced from PubChem (CID 58349430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).