1-(3-fluoro-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one

C14H15FN2O — CID 157289450

IUPAC1-(3-fluoro-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one
SMILESCC(C)Cc1cccn(-c2ncccc2F)c1=O
InChIInChI=1S/C14H15FN2O/c1-10(2)9-11-5-4-8-17(14(11)18)13-12(15)6-3-7-16-13/h3-8,10H,9H2,1-2H3
InChIKeyCNUISBVUGOCUBC-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.57
Rot. Bonds3

About 1-(3-fluoro-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one

1-(3-fluoro-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one (PubChem CID 157289450) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 1-(3-fluoro-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one.

Molecular Properties

Compound Name1-(3-fluoro-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one
PubChem CID157289450
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name1-(3-fluoro-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one
SMILESCC(C)Cc1cccn(-c2ncccc2F)c1=O
InChIInChI=1S/C14H15FN2O/c1-10(2)9-11-5-4-8-17(14(11)18)13-12(15)6-3-7-16-13/h3-8,10H,9H2,1-2H3
InChIKeyCNUISBVUGOCUBC-UHFFFAOYSA-N
XLogP2.57
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one?
The IUPAC name of 1-(3-fluoro-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one (CID 157289450) is 1-(3-fluoro-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one.
What is the SMILES notation for 1-(3-fluoro-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one?
The canonical SMILES for 1-(3-fluoro-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one is CC(C)Cc1cccn(-c2ncccc2F)c1=O.
What is the InChIKey of 1-(3-fluoro-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one?
The InChIKey is CNUISBVUGOCUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-10(2)9-11-5-4-8-17(14(11)18)13-12(15)6-3-7-16-13/h3-8,10H,9H2,1-2H3.
What are the key properties of 1-(3-fluoro-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one?
1-(3-fluoro-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one has a molecular weight of 246.28 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one is sourced from PubChem (CID 157289450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).