1-(3-fluoropropyl)pyridin-4-one

C8H10FNO — CID 116622406

IUPAC1-(3-fluoropropyl)pyridin-4-one
SMILESO=c1ccn(CCCF)cc1
InChIInChI=1S/C8H10FNO/c9-4-1-5-10-6-2-8(11)3-7-10/h2-3,6-7H,1,4-5H2
InChIKeyKVFRRXDVVWXPAX-UHFFFAOYSA-N
MW155.17 g/mol
LogP1.21
Rot. Bonds3

About 1-(3-fluoropropyl)pyridin-4-one

1-(3-fluoropropyl)pyridin-4-one (PubChem CID 116622406) has the molecular formula C8H10FNO and a molecular weight of 155.17 g/mol. Its IUPAC name is 1-(3-fluoropropyl)pyridin-4-one.

Molecular Properties

Compound Name1-(3-fluoropropyl)pyridin-4-one
PubChem CID116622406
Molecular FormulaC8H10FNO
Molecular Weight155.17 g/mol
Exact Mass155.07
IUPAC Name1-(3-fluoropropyl)pyridin-4-one
SMILESO=c1ccn(CCCF)cc1
InChIInChI=1S/C8H10FNO/c9-4-1-5-10-6-2-8(11)3-7-10/h2-3,6-7H,1,4-5H2
InChIKeyKVFRRXDVVWXPAX-UHFFFAOYSA-N
XLogP1.21
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.17
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)pyridin-4-one?
The IUPAC name of 1-(3-fluoropropyl)pyridin-4-one (CID 116622406) is 1-(3-fluoropropyl)pyridin-4-one.
What is the SMILES notation for 1-(3-fluoropropyl)pyridin-4-one?
The canonical SMILES for 1-(3-fluoropropyl)pyridin-4-one is O=c1ccn(CCCF)cc1.
What is the InChIKey of 1-(3-fluoropropyl)pyridin-4-one?
The InChIKey is KVFRRXDVVWXPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO/c9-4-1-5-10-6-2-8(11)3-7-10/h2-3,6-7H,1,4-5H2.
What are the key properties of 1-(3-fluoropropyl)pyridin-4-one?
1-(3-fluoropropyl)pyridin-4-one has a molecular weight of 155.17 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)pyridin-4-one is sourced from PubChem (CID 116622406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).