(6-bromo-5-ethyl-2-pyridinyl) acetate

C9H10BrNO2 — CID 174767596

IUPAC(6-bromo-5-ethyl-2-pyridinyl) acetate
SMILESCCc1ccc(OC(C)=O)nc1Br
InChIInChI=1S/C9H10BrNO2/c1-3-7-4-5-8(11-9(7)10)13-6(2)12/h4-5H,3H2,1-2H3
InChIKeySUZURSNGHVHNAS-UHFFFAOYSA-N
MW244.09 g/mol
LogP2.33
Rot. Bonds2

About (6-bromo-5-ethyl-2-pyridinyl) acetate

(6-bromo-5-ethyl-2-pyridinyl) acetate (PubChem CID 174767596) has the molecular formula C9H10BrNO2 and a molecular weight of 244.09 g/mol. Its IUPAC name is (6-bromo-5-ethyl-2-pyridinyl) acetate.

Molecular Properties

Compound Name(6-bromo-5-ethyl-2-pyridinyl) acetate
PubChem CID174767596
Molecular FormulaC9H10BrNO2
Molecular Weight244.09 g/mol
Exact Mass242.99
IUPAC Name(6-bromo-5-ethyl-2-pyridinyl) acetate
SMILESCCc1ccc(OC(C)=O)nc1Br
InChIInChI=1S/C9H10BrNO2/c1-3-7-4-5-8(11-9(7)10)13-6(2)12/h4-5H,3H2,1-2H3
InChIKeySUZURSNGHVHNAS-UHFFFAOYSA-N
XLogP2.33
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-bromo-5-ethyl-2-pyridinyl) acetate?
The IUPAC name of (6-bromo-5-ethyl-2-pyridinyl) acetate (CID 174767596) is (6-bromo-5-ethyl-2-pyridinyl) acetate.
What is the SMILES notation for (6-bromo-5-ethyl-2-pyridinyl) acetate?
The canonical SMILES for (6-bromo-5-ethyl-2-pyridinyl) acetate is CCc1ccc(OC(C)=O)nc1Br.
What is the InChIKey of (6-bromo-5-ethyl-2-pyridinyl) acetate?
The InChIKey is SUZURSNGHVHNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2/c1-3-7-4-5-8(11-9(7)10)13-6(2)12/h4-5H,3H2,1-2H3.
What are the key properties of (6-bromo-5-ethyl-2-pyridinyl) acetate?
(6-bromo-5-ethyl-2-pyridinyl) acetate has a molecular weight of 244.09 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-5-ethyl-2-pyridinyl) acetate is sourced from PubChem (CID 174767596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).