cycloheptyl-(5-fluoro-2-pyridinyl)methanone

C13H16FNO — CID 82931790

IUPACcycloheptyl-(5-fluoro-2-pyridinyl)methanone
SMILESO=C(c1ccc(F)cn1)C1CCCCCC1
InChIInChI=1S/C13H16FNO/c14-11-7-8-12(15-9-11)13(16)10-5-3-1-2-4-6-10/h7-10H,1-6H2
InChIKeyXROQTKMKQYAQOR-UHFFFAOYSA-N
MW221.28 g/mol
LogP3.37
Rot. Bonds2

About cycloheptyl-(5-fluoro-2-pyridinyl)methanone

cycloheptyl-(5-fluoro-2-pyridinyl)methanone (PubChem CID 82931790) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is cycloheptyl-(5-fluoro-2-pyridinyl)methanone.

Molecular Properties

Compound Namecycloheptyl-(5-fluoro-2-pyridinyl)methanone
PubChem CID82931790
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Namecycloheptyl-(5-fluoro-2-pyridinyl)methanone
SMILESO=C(c1ccc(F)cn1)C1CCCCCC1
InChIInChI=1S/C13H16FNO/c14-11-7-8-12(15-9-11)13(16)10-5-3-1-2-4-6-10/h7-10H,1-6H2
InChIKeyXROQTKMKQYAQOR-UHFFFAOYSA-N
XLogP3.37
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-fluoro-2-pyridinyl)-(3-methylcyclohexyl)methanone
CID 79723805
(9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-yl)-(5-fluoro-2-pyridinyl)methanone
CID 171950495
(4-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanone
CID 79723336
(2-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanone
CID 79723801
2-(azepan-2-yl)-1-(5-fluoro-2-pyridinyl)ethanone
CID 83120123
3-[cyclohexyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83125834
1-(5-fluoro-2-pyridinyl)but-3-yn-1-one
CID 79722226
5-(18F)fluoropyridine-2-carboxamide
CID 11607925
N-[[2-(chloromethyl)cyclohexyl]methyl]-5-fluoropyridine-2-carboxamide
CID 104643161
1-(5-fluoro-2-pyridinyl)-2-piperidin-2-ylpropan-1-one
CID 112583451
1-(5-fluoropyridine-2-carbonyl)piperidine-4-carboxylic acid
CID 113435785
[2-(2-chloroethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 113436394

Frequently Asked Questions

What is the IUPAC name of cycloheptyl-(5-fluoro-2-pyridinyl)methanone?
The IUPAC name of cycloheptyl-(5-fluoro-2-pyridinyl)methanone (CID 82931790) is cycloheptyl-(5-fluoro-2-pyridinyl)methanone.
What is the SMILES notation for cycloheptyl-(5-fluoro-2-pyridinyl)methanone?
The canonical SMILES for cycloheptyl-(5-fluoro-2-pyridinyl)methanone is O=C(c1ccc(F)cn1)C1CCCCCC1.
What is the InChIKey of cycloheptyl-(5-fluoro-2-pyridinyl)methanone?
The InChIKey is XROQTKMKQYAQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c14-11-7-8-12(15-9-11)13(16)10-5-3-1-2-4-6-10/h7-10H,1-6H2.
What are the key properties of cycloheptyl-(5-fluoro-2-pyridinyl)methanone?
cycloheptyl-(5-fluoro-2-pyridinyl)methanone has a molecular weight of 221.28 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl-(5-fluoro-2-pyridinyl)methanone is sourced from PubChem (CID 82931790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).