1-(2-fluoro-3-pyridinyl)-2,2-dimethylpropan-1-one

C10H12FNO — CID 58960984

IUPAC1-(2-fluoro-3-pyridinyl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1cccnc1F
InChIInChI=1S/C10H12FNO/c1-10(2,3)8(13)7-5-4-6-12-9(7)11/h4-6H,1-3H3
InChIKeyUVDRYNOEAKHWCH-UHFFFAOYSA-N
MW181.21 g/mol
LogP2.45
Rot. Bonds1

About 1-(2-fluoro-3-pyridinyl)-2,2-dimethylpropan-1-one

1-(2-fluoro-3-pyridinyl)-2,2-dimethylpropan-1-one (PubChem CID 58960984) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 1-(2-fluoro-3-pyridinyl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(2-fluoro-3-pyridinyl)-2,2-dimethylpropan-1-one
PubChem CID58960984
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name1-(2-fluoro-3-pyridinyl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1cccnc1F
InChIInChI=1S/C10H12FNO/c1-10(2,3)8(13)7-5-4-6-12-9(7)11/h4-6H,1-3H3
InChIKeyUVDRYNOEAKHWCH-UHFFFAOYSA-N
XLogP2.45
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 52.45
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-pyridinyl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(2-fluoro-3-pyridinyl)-2,2-dimethylpropan-1-one (CID 58960984) is 1-(2-fluoro-3-pyridinyl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(2-fluoro-3-pyridinyl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(2-fluoro-3-pyridinyl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)c1cccnc1F.
What is the InChIKey of 1-(2-fluoro-3-pyridinyl)-2,2-dimethylpropan-1-one?
The InChIKey is UVDRYNOEAKHWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-10(2,3)8(13)7-5-4-6-12-9(7)11/h4-6H,1-3H3.
What are the key properties of 1-(2-fluoro-3-pyridinyl)-2,2-dimethylpropan-1-one?
1-(2-fluoro-3-pyridinyl)-2,2-dimethylpropan-1-one has a molecular weight of 181.21 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-pyridinyl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 58960984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).