1-(1-fluoro-2H-pyridin-2-yl)ethanone

C7H8FNO — CID 174350797

IUPAC1-(1-fluoro-2H-pyridin-2-yl)ethanone
SMILESCC(=O)C1C=CC=CN1F
InChIInChI=1S/C7H8FNO/c1-6(10)7-4-2-3-5-9(7)8/h2-5,7H,1H3
InChIKeyWPNVSJZAJDRLHA-UHFFFAOYSA-N
MW141.14 g/mol
LogP1.21
Rot. Bonds1

About 1-(1-fluoro-2H-pyridin-2-yl)ethanone

1-(1-fluoro-2H-pyridin-2-yl)ethanone (PubChem CID 174350797) has the molecular formula C7H8FNO and a molecular weight of 141.14 g/mol. Its IUPAC name is 1-(1-fluoro-2H-pyridin-2-yl)ethanone.

Molecular Properties

Compound Name1-(1-fluoro-2H-pyridin-2-yl)ethanone
PubChem CID174350797
Molecular FormulaC7H8FNO
Molecular Weight141.14 g/mol
Exact Mass141.06
IUPAC Name1-(1-fluoro-2H-pyridin-2-yl)ethanone
SMILESCC(=O)C1C=CC=CN1F
InChIInChI=1S/C7H8FNO/c1-6(10)7-4-2-3-5-9(7)8/h2-5,7H,1H3
InChIKeyWPNVSJZAJDRLHA-UHFFFAOYSA-N
XLogP1.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.14
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoro-2H-pyridin-2-yl)ethanone?
The IUPAC name of 1-(1-fluoro-2H-pyridin-2-yl)ethanone (CID 174350797) is 1-(1-fluoro-2H-pyridin-2-yl)ethanone.
What is the SMILES notation for 1-(1-fluoro-2H-pyridin-2-yl)ethanone?
The canonical SMILES for 1-(1-fluoro-2H-pyridin-2-yl)ethanone is CC(=O)C1C=CC=CN1F.
What is the InChIKey of 1-(1-fluoro-2H-pyridin-2-yl)ethanone?
The InChIKey is WPNVSJZAJDRLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO/c1-6(10)7-4-2-3-5-9(7)8/h2-5,7H,1H3.
What are the key properties of 1-(1-fluoro-2H-pyridin-2-yl)ethanone?
1-(1-fluoro-2H-pyridin-2-yl)ethanone has a molecular weight of 141.14 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoro-2H-pyridin-2-yl)ethanone is sourced from PubChem (CID 174350797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).