3-fluoro-5-pentyl-1H-pyridin-2-one

C10H14FNO — CID 12552278

IUPAC3-fluoro-5-pentyl-1H-pyridin-2-one
SMILESCCCCCc1c[nH]c(=O)c(F)c1
InChIInChI=1S/C10H14FNO/c1-2-3-4-5-8-6-9(11)10(13)12-7-8/h6-7H,2-5H2,1H3,(H,12,13)
InChIKeyJHQTZPKVHQMENV-UHFFFAOYSA-N
MW183.23 g/mol
LogP2.25
Rot. Bonds4

About 3-fluoro-5-pentyl-1H-pyridin-2-one

3-fluoro-5-pentyl-1H-pyridin-2-one (PubChem CID 12552278) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 3-fluoro-5-pentyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-fluoro-5-pentyl-1H-pyridin-2-one
PubChem CID12552278
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name3-fluoro-5-pentyl-1H-pyridin-2-one
SMILESCCCCCc1c[nH]c(=O)c(F)c1
InChIInChI=1S/C10H14FNO/c1-2-3-4-5-8-6-9(11)10(13)12-7-8/h6-7H,2-5H2,1H3,(H,12,13)
InChIKeyJHQTZPKVHQMENV-UHFFFAOYSA-N
XLogP2.25
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-pentyl-1H-pyridin-2-one?
The IUPAC name of 3-fluoro-5-pentyl-1H-pyridin-2-one (CID 12552278) is 3-fluoro-5-pentyl-1H-pyridin-2-one.
What is the SMILES notation for 3-fluoro-5-pentyl-1H-pyridin-2-one?
The canonical SMILES for 3-fluoro-5-pentyl-1H-pyridin-2-one is CCCCCc1c[nH]c(=O)c(F)c1.
What is the InChIKey of 3-fluoro-5-pentyl-1H-pyridin-2-one?
The InChIKey is JHQTZPKVHQMENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-2-3-4-5-8-6-9(11)10(13)12-7-8/h6-7H,2-5H2,1H3,(H,12,13).
What are the key properties of 3-fluoro-5-pentyl-1H-pyridin-2-one?
3-fluoro-5-pentyl-1H-pyridin-2-one has a molecular weight of 183.23 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-pentyl-1H-pyridin-2-one is sourced from PubChem (CID 12552278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).