2-[(5-bromo-2-pyridinyl)methyl]cyclopentan-1-one

C11H12BrNO — CID 104799754

IUPAC2-[(5-bromo-2-pyridinyl)methyl]cyclopentan-1-one
SMILESO=C1CCCC1Cc1ccc(Br)cn1
InChIInChI=1S/C11H12BrNO/c12-9-4-5-10(13-7-9)6-8-2-1-3-11(8)14/h4-5,7-8H,1-3,6H2
InChIKeyJRNNUHIMVTXDTI-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.76
Rot. Bonds2

About 2-[(5-bromo-2-pyridinyl)methyl]cyclopentan-1-one

2-[(5-bromo-2-pyridinyl)methyl]cyclopentan-1-one (PubChem CID 104799754) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is 2-[(5-bromo-2-pyridinyl)methyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[(5-bromo-2-pyridinyl)methyl]cyclopentan-1-one
PubChem CID104799754
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC Name2-[(5-bromo-2-pyridinyl)methyl]cyclopentan-1-one
SMILESO=C1CCCC1Cc1ccc(Br)cn1
InChIInChI=1S/C11H12BrNO/c12-9-4-5-10(13-7-9)6-8-2-1-3-11(8)14/h4-5,7-8H,1-3,6H2
InChIKeyJRNNUHIMVTXDTI-UHFFFAOYSA-N
XLogP2.76
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-ethyl-2-pyridinyl)methyl]cycloheptan-1-one
CID 79748822
[2-[(5-bromo-2-pyridinyl)methyl]cyclopentyl]methanamine
CID 104813752
[2-[(5-bromo-2-pyridinyl)methyl]cyclobutyl]methanamine
CID 104813760
1-[4-[(5-bromo-2-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 175662559
2-[2-(4-bromo-2-chlorophenoxy)ethyl]cyclopentan-1-one
CID 79566329
N-[[2-[(5-bromo-2-pyridinyl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 104813879
5-[(5-bromo-2-pyridinyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104796375
5-bromo-2-[(3-bromo-2-methylcyclopentyl)methyl]pyridine
CID 104812252
2-[(1-methyltriazol-4-yl)methyl]cyclopentan-1-one
CID 107044513
2-(1,3-oxazol-4-ylmethyl)cycloheptan-1-one
CID 83484270
5-[(5-bromo-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
CID 104811047
N-[[2-[(5-bromo-2-pyridinyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 104813876

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-pyridinyl)methyl]cyclopentan-1-one?
The IUPAC name of 2-[(5-bromo-2-pyridinyl)methyl]cyclopentan-1-one (CID 104799754) is 2-[(5-bromo-2-pyridinyl)methyl]cyclopentan-1-one.
What is the SMILES notation for 2-[(5-bromo-2-pyridinyl)methyl]cyclopentan-1-one?
The canonical SMILES for 2-[(5-bromo-2-pyridinyl)methyl]cyclopentan-1-one is O=C1CCCC1Cc1ccc(Br)cn1.
What is the InChIKey of 2-[(5-bromo-2-pyridinyl)methyl]cyclopentan-1-one?
The InChIKey is JRNNUHIMVTXDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO/c12-9-4-5-10(13-7-9)6-8-2-1-3-11(8)14/h4-5,7-8H,1-3,6H2.
What are the key properties of 2-[(5-bromo-2-pyridinyl)methyl]cyclopentan-1-one?
2-[(5-bromo-2-pyridinyl)methyl]cyclopentan-1-one has a molecular weight of 254.13 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-pyridinyl)methyl]cyclopentan-1-one is sourced from PubChem (CID 104799754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).