6-fluoro-5-propan-2-yl-1H-pyridin-2-one

C8H10FNO — CID 122543512

IUPAC6-fluoro-5-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1ccc(=O)[nH]c1F
InChIInChI=1S/C8H10FNO/c1-5(2)6-3-4-7(11)10-8(6)9/h3-5H,1-2H3,(H,10,11)
InChIKeyYHIVZBLDYAAOGJ-UHFFFAOYSA-N
MW155.17 g/mol
LogP1.64
Rot. Bonds1

About 6-fluoro-5-propan-2-yl-1H-pyridin-2-one

6-fluoro-5-propan-2-yl-1H-pyridin-2-one (PubChem CID 122543512) has the molecular formula C8H10FNO and a molecular weight of 155.17 g/mol. Its IUPAC name is 6-fluoro-5-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-fluoro-5-propan-2-yl-1H-pyridin-2-one
PubChem CID122543512
Molecular FormulaC8H10FNO
Molecular Weight155.17 g/mol
Exact Mass155.07
IUPAC Name6-fluoro-5-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1ccc(=O)[nH]c1F
InChIInChI=1S/C8H10FNO/c1-5(2)6-3-4-7(11)10-8(6)9/h3-5H,1-2H3,(H,10,11)
InChIKeyYHIVZBLDYAAOGJ-UHFFFAOYSA-N
XLogP1.64
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.17
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-Fluoro-5-methylpyridin-2-OL
CID 20810133
6-fluoro-4-propan-2-yl-1H-pyridin-2-one
CID 68062958
5-ethyl-6-(trifluoromethyl)-1H-pyridin-2-one
CID 68204646
6-fluoro-3-methyl-5-propan-2-yl-1H-pyridin-2-one
CID 122543517
4,6-difluoro-5-propan-2-yl-1H-pyridin-2-one
CID 122543520
4-fluoro-6-methyl-5-propan-2-yl-1H-pyridin-2-one
CID 122543524
4-fluoro-5-propan-2-yl-6-prop-1-ynyl-1H-pyridin-2-one
CID 122543542
5-ethyl-6-fluoro-3-methyl-1H-pyridin-2-one
CID 123507957
5-tert-butyl-6-fluoro-1H-pyridin-2-one
CID 130252511
5-ethyl-6-fluoro-1H-pyridin-2-one
CID 139396568
5-ethenyl-6-(1-fluoroethenyl)-1H-pyridin-2-one
CID 145651507
5-ethyl-3-fluoro-6-methyl-1H-pyridin-2-one
CID 164529760

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 6-fluoro-5-propan-2-yl-1H-pyridin-2-one (CID 122543512) is 6-fluoro-5-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 6-fluoro-5-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 6-fluoro-5-propan-2-yl-1H-pyridin-2-one is CC(C)c1ccc(=O)[nH]c1F.
What is the InChIKey of 6-fluoro-5-propan-2-yl-1H-pyridin-2-one?
The InChIKey is YHIVZBLDYAAOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO/c1-5(2)6-3-4-7(11)10-8(6)9/h3-5H,1-2H3,(H,10,11).
What are the key properties of 6-fluoro-5-propan-2-yl-1H-pyridin-2-one?
6-fluoro-5-propan-2-yl-1H-pyridin-2-one has a molecular weight of 155.17 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 122543512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).