3-(5-bromo-2-pyridin-2-ylphenyl)cyclopentan-1-one

C16H14BrNO — CID 135057418

IUPAC3-(5-bromo-2-pyridin-2-ylphenyl)cyclopentan-1-one
SMILESO=C1CCC(c2cc(Br)ccc2-c2ccccn2)C1
InChIInChI=1S/C16H14BrNO/c17-12-5-7-14(16-3-1-2-8-18-16)15(10-12)11-4-6-13(19)9-11/h1-3,5,7-8,10-11H,4,6,9H2
InChIKeyCSLJNHQLVAWYMN-UHFFFAOYSA-N
MW316.20 g/mol
LogP4.35
Rot. Bonds2

About 3-(5-bromo-2-pyridin-2-ylphenyl)cyclopentan-1-one

3-(5-bromo-2-pyridin-2-ylphenyl)cyclopentan-1-one (PubChem CID 135057418) has the molecular formula C16H14BrNO and a molecular weight of 316.20 g/mol. Its IUPAC name is 3-(5-bromo-2-pyridin-2-ylphenyl)cyclopentan-1-one.

Molecular Properties

Compound Name3-(5-bromo-2-pyridin-2-ylphenyl)cyclopentan-1-one
PubChem CID135057418
Molecular FormulaC16H14BrNO
Molecular Weight316.20 g/mol
Exact Mass315.03
IUPAC Name3-(5-bromo-2-pyridin-2-ylphenyl)cyclopentan-1-one
SMILESO=C1CCC(c2cc(Br)ccc2-c2ccccn2)C1
InChIInChI=1S/C16H14BrNO/c17-12-5-7-14(16-3-1-2-8-18-16)15(10-12)11-4-6-13(19)9-11/h1-3,5,7-8,10-11H,4,6,9H2
InChIKeyCSLJNHQLVAWYMN-UHFFFAOYSA-N
XLogP4.35
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-pyridin-2-ylphenyl)cyclopentan-1-one?
The IUPAC name of 3-(5-bromo-2-pyridin-2-ylphenyl)cyclopentan-1-one (CID 135057418) is 3-(5-bromo-2-pyridin-2-ylphenyl)cyclopentan-1-one.
What is the SMILES notation for 3-(5-bromo-2-pyridin-2-ylphenyl)cyclopentan-1-one?
The canonical SMILES for 3-(5-bromo-2-pyridin-2-ylphenyl)cyclopentan-1-one is O=C1CCC(c2cc(Br)ccc2-c2ccccn2)C1.
What is the InChIKey of 3-(5-bromo-2-pyridin-2-ylphenyl)cyclopentan-1-one?
The InChIKey is CSLJNHQLVAWYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO/c17-12-5-7-14(16-3-1-2-8-18-16)15(10-12)11-4-6-13(19)9-11/h1-3,5,7-8,10-11H,4,6,9H2.
What are the key properties of 3-(5-bromo-2-pyridin-2-ylphenyl)cyclopentan-1-one?
3-(5-bromo-2-pyridin-2-ylphenyl)cyclopentan-1-one has a molecular weight of 316.20 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-pyridin-2-ylphenyl)cyclopentan-1-one is sourced from PubChem (CID 135057418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).