1-(2,6-difluoro-3-pyridinyl)propan-1-one

C8H7F2NO — CID 53413972

IUPAC1-(2,6-difluoro-3-pyridinyl)propan-1-one
SMILESCCC(=O)c1ccc(F)nc1F
InChIInChI=1S/C8H7F2NO/c1-2-6(12)5-3-4-7(9)11-8(5)10/h3-4H,2H2,1H3
InChIKeyLEUYZJPYRBLIRT-UHFFFAOYSA-N
MW171.15 g/mol
LogP1.95
Rot. Bonds2

About 1-(2,6-difluoro-3-pyridinyl)propan-1-one

1-(2,6-difluoro-3-pyridinyl)propan-1-one (PubChem CID 53413972) has the molecular formula C8H7F2NO and a molecular weight of 171.15 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-pyridinyl)propan-1-one.

Molecular Properties

Compound Name1-(2,6-difluoro-3-pyridinyl)propan-1-one
PubChem CID53413972
Molecular FormulaC8H7F2NO
Molecular Weight171.15 g/mol
Exact Mass171.05
IUPAC Name1-(2,6-difluoro-3-pyridinyl)propan-1-one
SMILESCCC(=O)c1ccc(F)nc1F
InChIInChI=1S/C8H7F2NO/c1-2-6(12)5-3-4-7(9)11-8(5)10/h3-4H,2H2,1H3
InChIKeyLEUYZJPYRBLIRT-UHFFFAOYSA-N
XLogP1.95
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 51.95
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

1-[3-(difluoromethyl)-2-fluorophenyl]propan-1-one
CID 126971228
2-(2,6-difluoro-3-pyridinyl)acetic acid
CID 118998440
1-(4-bromo-2,3-difluorophenyl)propan-1-one
CID 174816220
benzyl 2,6-difluoropyridine-3-carboxylate
CID 20501992
1-(2-chloro-4-fluorophenyl)propan-1-one
CID 19009630
6-fluoro-2-methylpyridine-3-carbonyl bromide
CID 119084429
1-(2,3-difluorophenyl)propan-1-one;ethane
CID 158876194
1-(2,4-difluoro-3-pyridin-4-ylphenyl)propan-1-one
CID 174512186
N'-(4-chlorobenzoyl)-2,6-difluoropyridine-3-carbohydrazide
CID 68715711
1-(2,3,4-trimethylphenyl)propan-1-one
CID 19901190
1-(2-phosphanylphenyl)propan-1-one
CID 143391077
1-[2-methyl-3,4-di(propanoyl)phenyl]propan-1-one
CID 54496019

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-pyridinyl)propan-1-one?
The IUPAC name of 1-(2,6-difluoro-3-pyridinyl)propan-1-one (CID 53413972) is 1-(2,6-difluoro-3-pyridinyl)propan-1-one.
What is the SMILES notation for 1-(2,6-difluoro-3-pyridinyl)propan-1-one?
The canonical SMILES for 1-(2,6-difluoro-3-pyridinyl)propan-1-one is CCC(=O)c1ccc(F)nc1F.
What is the InChIKey of 1-(2,6-difluoro-3-pyridinyl)propan-1-one?
The InChIKey is LEUYZJPYRBLIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO/c1-2-6(12)5-3-4-7(9)11-8(5)10/h3-4H,2H2,1H3.
What are the key properties of 1-(2,6-difluoro-3-pyridinyl)propan-1-one?
1-(2,6-difluoro-3-pyridinyl)propan-1-one has a molecular weight of 171.15 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-pyridinyl)propan-1-one is sourced from PubChem (CID 53413972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).