(2-bromo-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate

C11H12BrNO2 — CID 11644722

IUPAC(2-bromo-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate
SMILESCC(=O)OC1CCc2c(C)cc(Br)nc21
InChIInChI=1S/C11H12BrNO2/c1-6-5-10(12)13-11-8(6)3-4-9(11)15-7(2)14/h5,9H,3-4H2,1-2H3
InChIKeyLRRWIKUJYQIMAS-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.70
Rot. Bonds1

About (2-bromo-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate

(2-bromo-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate (PubChem CID 11644722) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is (2-bromo-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate.

Molecular Properties

Compound Name(2-bromo-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate
PubChem CID11644722
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name(2-bromo-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate
SMILESCC(=O)OC1CCc2c(C)cc(Br)nc21
InChIInChI=1S/C11H12BrNO2/c1-6-5-10(12)13-11-8(6)3-4-9(11)15-7(2)14/h5,9H,3-4H2,1-2H3
InChIKeyLRRWIKUJYQIMAS-UHFFFAOYSA-N
XLogP2.70
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.70
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 (2-bromo-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate?
The IUPAC name of (2-bromo-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate (CID 11644722) is (2-bromo-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate.
What is the SMILES notation for (2-bromo-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate?
The canonical SMILES for (2-bromo-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate is CC(=O)OC1CCc2c(C)cc(Br)nc21.
What is the InChIKey of (2-bromo-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate?
The InChIKey is LRRWIKUJYQIMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c1-6-5-10(12)13-11-8(6)3-4-9(11)15-7(2)14/h5,9H,3-4H2,1-2H3.
What are the key properties of (2-bromo-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate?
(2-bromo-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate has a molecular weight of 270.13 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate is sourced from PubChem (CID 11644722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).