1-(6-fluoro-2-methyl-2H-pyridin-1-yl)propan-2-one

C9H12FNO — CID 139214681

IUPAC1-(6-fluoro-2-methyl-2H-pyridin-1-yl)propan-2-one
SMILESCC(=O)CN1C(F)=CC=CC1C
InChIInChI=1S/C9H12FNO/c1-7-4-3-5-9(10)11(7)6-8(2)12/h3-5,7H,6H2,1-2H3
InChIKeyLKJPEPIZVMYJGA-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.65
Rot. Bonds2

About 1-(6-fluoro-2-methyl-2H-pyridin-1-yl)propan-2-one

1-(6-fluoro-2-methyl-2H-pyridin-1-yl)propan-2-one (PubChem CID 139214681) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is 1-(6-fluoro-2-methyl-2H-pyridin-1-yl)propan-2-one.

Molecular Properties

Compound Name1-(6-fluoro-2-methyl-2H-pyridin-1-yl)propan-2-one
PubChem CID139214681
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name1-(6-fluoro-2-methyl-2H-pyridin-1-yl)propan-2-one
SMILESCC(=O)CN1C(F)=CC=CC1C
InChIInChI=1S/C9H12FNO/c1-7-4-3-5-9(10)11(7)6-8(2)12/h3-5,7H,6H2,1-2H3
InChIKeyLKJPEPIZVMYJGA-UHFFFAOYSA-N
XLogP1.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-2-methyl-2H-pyridin-1-yl)propan-2-one?
The IUPAC name of 1-(6-fluoro-2-methyl-2H-pyridin-1-yl)propan-2-one (CID 139214681) is 1-(6-fluoro-2-methyl-2H-pyridin-1-yl)propan-2-one.
What is the SMILES notation for 1-(6-fluoro-2-methyl-2H-pyridin-1-yl)propan-2-one?
The canonical SMILES for 1-(6-fluoro-2-methyl-2H-pyridin-1-yl)propan-2-one is CC(=O)CN1C(F)=CC=CC1C.
What is the InChIKey of 1-(6-fluoro-2-methyl-2H-pyridin-1-yl)propan-2-one?
The InChIKey is LKJPEPIZVMYJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c1-7-4-3-5-9(10)11(7)6-8(2)12/h3-5,7H,6H2,1-2H3.
What are the key properties of 1-(6-fluoro-2-methyl-2H-pyridin-1-yl)propan-2-one?
1-(6-fluoro-2-methyl-2H-pyridin-1-yl)propan-2-one has a molecular weight of 169.20 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-2-methyl-2H-pyridin-1-yl)propan-2-one is sourced from PubChem (CID 139214681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).