5-fluoro-1-pent-3-ynylpyridin-2-one

C10H10FNO — CID 130635175

IUPAC5-fluoro-1-pent-3-ynylpyridin-2-one
SMILESCC#CCCn1cc(F)ccc1=O
InChIInChI=1S/C10H10FNO/c1-2-3-4-7-12-8-9(11)5-6-10(12)13/h5-6,8H,4,7H2,1H3
InChIKeyMRQPDZOPHYWOHH-UHFFFAOYSA-N
MW179.19 g/mol
LogP1.40
Rot. Bonds2

About 5-fluoro-1-pent-3-ynylpyridin-2-one

5-fluoro-1-pent-3-ynylpyridin-2-one (PubChem CID 130635175) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 5-fluoro-1-pent-3-ynylpyridin-2-one.

Molecular Properties

Compound Name5-fluoro-1-pent-3-ynylpyridin-2-one
PubChem CID130635175
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name5-fluoro-1-pent-3-ynylpyridin-2-one
SMILESCC#CCCn1cc(F)ccc1=O
InChIInChI=1S/C10H10FNO/c1-2-3-4-7-12-8-9(11)5-6-10(12)13/h5-6,8H,4,7H2,1H3
InChIKeyMRQPDZOPHYWOHH-UHFFFAOYSA-N
XLogP1.40
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-pent-3-ynylpyridin-2-one?
The IUPAC name of 5-fluoro-1-pent-3-ynylpyridin-2-one (CID 130635175) is 5-fluoro-1-pent-3-ynylpyridin-2-one.
What is the SMILES notation for 5-fluoro-1-pent-3-ynylpyridin-2-one?
The canonical SMILES for 5-fluoro-1-pent-3-ynylpyridin-2-one is CC#CCCn1cc(F)ccc1=O.
What is the InChIKey of 5-fluoro-1-pent-3-ynylpyridin-2-one?
The InChIKey is MRQPDZOPHYWOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c1-2-3-4-7-12-8-9(11)5-6-10(12)13/h5-6,8H,4,7H2,1H3.
What are the key properties of 5-fluoro-1-pent-3-ynylpyridin-2-one?
5-fluoro-1-pent-3-ynylpyridin-2-one has a molecular weight of 179.19 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-pent-3-ynylpyridin-2-one is sourced from PubChem (CID 130635175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).