cyclopropyl-(6-fluoro-2-pyridinyl)methanone

C9H8FNO — CID 134465722

IUPACcyclopropyl-(6-fluoro-2-pyridinyl)methanone
SMILESO=C(c1cccc(F)n1)C1CC1
InChIInChI=1S/C9H8FNO/c10-8-3-1-2-7(11-8)9(12)6-4-5-6/h1-3,6H,4-5H2
InChIKeyAVLWTFNTAAEJCK-UHFFFAOYSA-N
MW165.17 g/mol
LogP1.81
Rot. Bonds2

About cyclopropyl-(6-fluoro-2-pyridinyl)methanone

cyclopropyl-(6-fluoro-2-pyridinyl)methanone (PubChem CID 134465722) has the molecular formula C9H8FNO and a molecular weight of 165.17 g/mol. Its IUPAC name is cyclopropyl-(6-fluoro-2-pyridinyl)methanone.

Molecular Properties

Compound Namecyclopropyl-(6-fluoro-2-pyridinyl)methanone
PubChem CID134465722
Molecular FormulaC9H8FNO
Molecular Weight165.17 g/mol
Exact Mass165.06
IUPAC Namecyclopropyl-(6-fluoro-2-pyridinyl)methanone
SMILESO=C(c1cccc(F)n1)C1CC1
InChIInChI=1S/C9H8FNO/c10-8-3-1-2-7(11-8)9(12)6-4-5-6/h1-3,6H,4-5H2
InChIKeyAVLWTFNTAAEJCK-UHFFFAOYSA-N
XLogP1.81
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 51.81
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

(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-(6-fluoro-2-pyridinyl)methanone
CID 171950536
(6-fluoro-2-pyridinyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171950538
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-fluoro-2-pyridinyl)methanone
CID 115498100
(6-fluoro-2-pyridinyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 115497554
(2,6-dimethylpiperidin-1-yl)-(6-fluoro-2-pyridinyl)methanone
CID 115496620
oxan-4-yl 6-fluoropyridine-2-carboxylate
CID 115498876
(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(6-fluoro-2-pyridinyl)methanone
CID 171950548
(6-fluoro-2-pyridinyl)-(2-methylazepan-1-yl)methanone
CID 115497894
N-cyclopropyl-6-fluoro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 115497708
N-(cyclopentylmethyl)-6-fluoropyridine-2-carboxamide
CID 115496783
(6-fluoro-2-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 115496754
N-(cyclopropylmethyl)-6-fluoro-N-propan-2-ylpyridine-2-carboxamide
CID 115497703

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(6-fluoro-2-pyridinyl)methanone?
The IUPAC name of cyclopropyl-(6-fluoro-2-pyridinyl)methanone (CID 134465722) is cyclopropyl-(6-fluoro-2-pyridinyl)methanone.
What is the SMILES notation for cyclopropyl-(6-fluoro-2-pyridinyl)methanone?
The canonical SMILES for cyclopropyl-(6-fluoro-2-pyridinyl)methanone is O=C(c1cccc(F)n1)C1CC1.
What is the InChIKey of cyclopropyl-(6-fluoro-2-pyridinyl)methanone?
The InChIKey is AVLWTFNTAAEJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO/c10-8-3-1-2-7(11-8)9(12)6-4-5-6/h1-3,6H,4-5H2.
What are the key properties of cyclopropyl-(6-fluoro-2-pyridinyl)methanone?
cyclopropyl-(6-fluoro-2-pyridinyl)methanone has a molecular weight of 165.17 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(6-fluoro-2-pyridinyl)methanone is sourced from PubChem (CID 134465722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).