1-(3-fluoro-2-pyridinyl)propan-2-one

C8H8FNO — CID 63198717

IUPAC1-(3-fluoro-2-pyridinyl)propan-2-one
SMILESCC(=O)Cc1ncccc1F
InChIInChI=1S/C8H8FNO/c1-6(11)5-8-7(9)3-2-4-10-8/h2-4H,5H2,1H3
InChIKeyHNYHQQLVHRWRDR-UHFFFAOYSA-N
MW153.16 g/mol
LogP1.35
Rot. Bonds2

About 1-(3-fluoro-2-pyridinyl)propan-2-one

1-(3-fluoro-2-pyridinyl)propan-2-one (PubChem CID 63198717) has the molecular formula C8H8FNO and a molecular weight of 153.16 g/mol. Its IUPAC name is 1-(3-fluoro-2-pyridinyl)propan-2-one.

Molecular Properties

Compound Name1-(3-fluoro-2-pyridinyl)propan-2-one
PubChem CID63198717
Molecular FormulaC8H8FNO
Molecular Weight153.16 g/mol
Exact Mass153.06
IUPAC Name1-(3-fluoro-2-pyridinyl)propan-2-one
SMILESCC(=O)Cc1ncccc1F
InChIInChI=1S/C8H8FNO/c1-6(11)5-8-7(9)3-2-4-10-8/h2-4H,5H2,1H3
InChIKeyHNYHQQLVHRWRDR-UHFFFAOYSA-N
XLogP1.35
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.16
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

diethyl 2-(3-fluoro-2-pyridinyl)propanedioate;ethyl 2-(3-fluoro-2-pyridinyl)acetate
CID 159674340
2-amino-3-(3-fluoro-2-pyridinyl)-2-methylpropanoic acid
CID 130039671
acetic acid;3-fluoro-2-methylpyridine
CID 175599570
ethyl 3-fluoropyridine-2-carboxylate
CID 46311381
N-(2-amino-6-chloro-5-iodopyrimidin-4-yl)-2-(3-fluoro-2-pyridinyl)acetohydrazide
CID 151069045
(3-fluoro-2-pyridinyl) acetate
CID 15091012
(2E)-2-ethylidene-1-(3-fluoro-2-pyridinyl)butane-1,3-dione
CID 90276186
2-ethylidene-1-(3-fluoro-2-pyridinyl)butane-1,3-dione
CID 148826294
2-(3-fluoro-2-pyridinyl)propanoic acid
CID 91647505
N-[(3-fluoro-2-pyridinyl)methyl]pyrimidin-2-amine
CID 75431488
3-fluoro-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 110474737
3-(2-oxopropyl)pyridine-2-carbonitrile
CID 69171955

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-pyridinyl)propan-2-one?
The IUPAC name of 1-(3-fluoro-2-pyridinyl)propan-2-one (CID 63198717) is 1-(3-fluoro-2-pyridinyl)propan-2-one.
What is the SMILES notation for 1-(3-fluoro-2-pyridinyl)propan-2-one?
The canonical SMILES for 1-(3-fluoro-2-pyridinyl)propan-2-one is CC(=O)Cc1ncccc1F.
What is the InChIKey of 1-(3-fluoro-2-pyridinyl)propan-2-one?
The InChIKey is HNYHQQLVHRWRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO/c1-6(11)5-8-7(9)3-2-4-10-8/h2-4H,5H2,1H3.
What are the key properties of 1-(3-fluoro-2-pyridinyl)propan-2-one?
1-(3-fluoro-2-pyridinyl)propan-2-one has a molecular weight of 153.16 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-pyridinyl)propan-2-one is sourced from PubChem (CID 63198717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).