cyclohepten-1-yl-(3-fluoro-4-pyridinyl)methanone

C13H14FNO — CID 103450510

IUPACcyclohepten-1-yl-(3-fluoro-4-pyridinyl)methanone
SMILESO=C(C1=CCCCCC1)c1ccncc1F
InChIInChI=1S/C13H14FNO/c14-12-9-15-8-7-11(12)13(16)10-5-3-1-2-4-6-10/h5,7-9H,1-4,6H2
InChIKeyLGLAPTWSVDNIFN-UHFFFAOYSA-N
MW219.26 g/mol
LogP3.29
Rot. Bonds2

About cyclohepten-1-yl-(3-fluoro-4-pyridinyl)methanone

cyclohepten-1-yl-(3-fluoro-4-pyridinyl)methanone (PubChem CID 103450510) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is cyclohepten-1-yl-(3-fluoro-4-pyridinyl)methanone.

Molecular Properties

Compound Namecyclohepten-1-yl-(3-fluoro-4-pyridinyl)methanone
PubChem CID103450510
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Namecyclohepten-1-yl-(3-fluoro-4-pyridinyl)methanone
SMILESO=C(C1=CCCCCC1)c1ccncc1F
InChIInChI=1S/C13H14FNO/c14-12-9-15-8-7-11(12)13(16)10-5-3-1-2-4-6-10/h5,7-9H,1-4,6H2
InChIKeyLGLAPTWSVDNIFN-UHFFFAOYSA-N
XLogP3.29
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohepten-1-yl-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 103450414
cyclohexen-1-yl-(3-methyl-4-pyridinyl)methanone
CID 106652156
cyclohepten-1-yl(pyrazin-2-yl)methanone
CID 103450557
[(1E)-cycloocten-1-yl]-(2,6-difluorophenyl)methanone
CID 106652041
[(1E)-cycloocten-1-yl]-[2-fluoro-5-(trifluoromethyl)phenyl]methanone
CID 106652070
cyclohexen-1-yl-(2,6-difluorophenyl)methanone
CID 62078294
[(1E)-cycloocten-1-yl]-quinolin-4-ylmethanone
CID 106655937
(5-chloro-2-fluorophenyl)-(cyclopenten-1-yl)methanone
CID 62079364
[(1E)-cycloocten-1-yl]-(2-methylphenyl)methanone
CID 106651753
[(1E)-cycloocten-1-yl]-quinoxalin-5-ylmethanone
CID 106655939
2-(4-amino-3-pyridinyl)-1-(cyclohepten-1-yl)ethanone
CID 103450475
cyclohexen-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone
CID 62080486

Frequently Asked Questions

What is the IUPAC name of cyclohepten-1-yl-(3-fluoro-4-pyridinyl)methanone?
The IUPAC name of cyclohepten-1-yl-(3-fluoro-4-pyridinyl)methanone (CID 103450510) is cyclohepten-1-yl-(3-fluoro-4-pyridinyl)methanone.
What is the SMILES notation for cyclohepten-1-yl-(3-fluoro-4-pyridinyl)methanone?
The canonical SMILES for cyclohepten-1-yl-(3-fluoro-4-pyridinyl)methanone is O=C(C1=CCCCCC1)c1ccncc1F.
What is the InChIKey of cyclohepten-1-yl-(3-fluoro-4-pyridinyl)methanone?
The InChIKey is LGLAPTWSVDNIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO/c14-12-9-15-8-7-11(12)13(16)10-5-3-1-2-4-6-10/h5,7-9H,1-4,6H2.
What are the key properties of cyclohepten-1-yl-(3-fluoro-4-pyridinyl)methanone?
cyclohepten-1-yl-(3-fluoro-4-pyridinyl)methanone has a molecular weight of 219.26 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepten-1-yl-(3-fluoro-4-pyridinyl)methanone is sourced from PubChem (CID 103450510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).