cycloheptyl-(2-fluoro-3-pyridinyl)methanone

C13H16FNO — CID 69292771

IUPACcycloheptyl-(2-fluoro-3-pyridinyl)methanone
SMILESO=C(c1cccnc1F)C1CCCCCC1
InChIInChI=1S/C13H16FNO/c14-13-11(8-5-9-15-13)12(16)10-6-3-1-2-4-7-10/h5,8-10H,1-4,6-7H2
InChIKeyGIBQKCNYJDHRKY-UHFFFAOYSA-N
MW221.28 g/mol
LogP3.37
Rot. Bonds2

About cycloheptyl-(2-fluoro-3-pyridinyl)methanone

cycloheptyl-(2-fluoro-3-pyridinyl)methanone (PubChem CID 69292771) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is cycloheptyl-(2-fluoro-3-pyridinyl)methanone.

Molecular Properties

Compound Namecycloheptyl-(2-fluoro-3-pyridinyl)methanone
PubChem CID69292771
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Namecycloheptyl-(2-fluoro-3-pyridinyl)methanone
SMILESO=C(c1cccnc1F)C1CCCCCC1
InChIInChI=1S/C13H16FNO/c14-13-11(8-5-9-15-13)12(16)10-6-3-1-2-4-7-10/h5,8-10H,1-4,6-7H2
InChIKeyGIBQKCNYJDHRKY-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

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclohexanecarbonyl)pyridine-2-carboxylic acid
CID 23364091
cyclopentyl(quinolin-8-yl)methanone
CID 81220027
(2-fluoro-3-pyridinyl)-[1-[(2S,3S)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]methanone
CID 71819247
cyclohexylmethyl 2-fluoropyridine-3-carboxylate
CID 107271838
(2-fluoro-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 107362731
(3-amino-2-pyridinyl)-cyclohexylmethanone
CID 116613694
cyclooctyl-(2-methylphenyl)methanone
CID 80602643
cycloheptyl-(2-iodophenyl)methanone
CID 115794862
cycloheptyl-(2-methylsulfanylphenyl)methanone
CID 115794815
(2-fluoro-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 107358404
[2-(benzhydrylideneamino)-3-pyridinyl]-cyclopropylmethanone
CID 165406060
cyclohexyl(isoquinolin-8-yl)methanone
CID 103134088

Frequently Asked Questions

What is the IUPAC name of cycloheptyl-(2-fluoro-3-pyridinyl)methanone?
The IUPAC name of cycloheptyl-(2-fluoro-3-pyridinyl)methanone (CID 69292771) is cycloheptyl-(2-fluoro-3-pyridinyl)methanone.
What is the SMILES notation for cycloheptyl-(2-fluoro-3-pyridinyl)methanone?
The canonical SMILES for cycloheptyl-(2-fluoro-3-pyridinyl)methanone is O=C(c1cccnc1F)C1CCCCCC1.
What is the InChIKey of cycloheptyl-(2-fluoro-3-pyridinyl)methanone?
The InChIKey is GIBQKCNYJDHRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c14-13-11(8-5-9-15-13)12(16)10-6-3-1-2-4-7-10/h5,8-10H,1-4,6-7H2.
What are the key properties of cycloheptyl-(2-fluoro-3-pyridinyl)methanone?
cycloheptyl-(2-fluoro-3-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-(2-fluoro-3-pyridinyl)methanone is sourced from PubChem (CID 69292771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).