6-chloro-1-(3-fluoropropyl)pyridin-2-one

C8H9ClFNO — CID 130714965

IUPAC6-chloro-1-(3-fluoropropyl)pyridin-2-one
SMILESO=c1cccc(Cl)n1CCCF
InChIInChI=1S/C8H9ClFNO/c9-7-3-1-4-8(12)11(7)6-2-5-10/h1,3-4H,2,5-6H2
InChIKeyYDCABVBSEHQENJ-UHFFFAOYSA-N
MW189.62 g/mol
LogP1.86
Rot. Bonds3

About 6-chloro-1-(3-fluoropropyl)pyridin-2-one

6-chloro-1-(3-fluoropropyl)pyridin-2-one (PubChem CID 130714965) has the molecular formula C8H9ClFNO and a molecular weight of 189.62 g/mol. Its IUPAC name is 6-chloro-1-(3-fluoropropyl)pyridin-2-one.

Molecular Properties

Compound Name6-chloro-1-(3-fluoropropyl)pyridin-2-one
PubChem CID130714965
Molecular FormulaC8H9ClFNO
Molecular Weight189.62 g/mol
Exact Mass189.04
IUPAC Name6-chloro-1-(3-fluoropropyl)pyridin-2-one
SMILESO=c1cccc(Cl)n1CCCF
InChIInChI=1S/C8H9ClFNO/c9-7-3-1-4-8(12)11(7)6-2-5-10/h1,3-4H,2,5-6H2
InChIKeyYDCABVBSEHQENJ-UHFFFAOYSA-N
XLogP1.86
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.62
LogP ≤ 51.86
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 6-chloro-1-(3-fluoropropyl)pyridin-2-one?
The IUPAC name of 6-chloro-1-(3-fluoropropyl)pyridin-2-one (CID 130714965) is 6-chloro-1-(3-fluoropropyl)pyridin-2-one.
What is the SMILES notation for 6-chloro-1-(3-fluoropropyl)pyridin-2-one?
The canonical SMILES for 6-chloro-1-(3-fluoropropyl)pyridin-2-one is O=c1cccc(Cl)n1CCCF.
What is the InChIKey of 6-chloro-1-(3-fluoropropyl)pyridin-2-one?
The InChIKey is YDCABVBSEHQENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFNO/c9-7-3-1-4-8(12)11(7)6-2-5-10/h1,3-4H,2,5-6H2.
What are the key properties of 6-chloro-1-(3-fluoropropyl)pyridin-2-one?
6-chloro-1-(3-fluoropropyl)pyridin-2-one has a molecular weight of 189.62 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(3-fluoropropyl)pyridin-2-one is sourced from PubChem (CID 130714965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).