1-(3-fluoro-5-methoxy-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one

C15H17FN2O2 — CID 157069124

IUPAC1-(3-fluoro-5-methoxy-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one
SMILESCOc1cnc(-n2cccc(CC(C)C)c2=O)c(F)c1
InChIInChI=1S/C15H17FN2O2/c1-10(2)7-11-5-4-6-18(15(11)19)14-13(16)8-12(20-3)9-17-14/h4-6,8-10H,7H2,1-3H3
InChIKeyGARGCEXFYOHDNU-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.58
Rot. Bonds4

About 1-(3-fluoro-5-methoxy-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one

1-(3-fluoro-5-methoxy-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one (PubChem CID 157069124) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 1-(3-fluoro-5-methoxy-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one.

Molecular Properties

Compound Name1-(3-fluoro-5-methoxy-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one
PubChem CID157069124
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name1-(3-fluoro-5-methoxy-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one
SMILESCOc1cnc(-n2cccc(CC(C)C)c2=O)c(F)c1
InChIInChI=1S/C15H17FN2O2/c1-10(2)7-11-5-4-6-18(15(11)19)14-13(16)8-12(20-3)9-17-14/h4-6,8-10H,7H2,1-3H3
InChIKeyGARGCEXFYOHDNU-UHFFFAOYSA-N
XLogP2.58
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methoxy-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one?
The IUPAC name of 1-(3-fluoro-5-methoxy-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one (CID 157069124) is 1-(3-fluoro-5-methoxy-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one.
What is the SMILES notation for 1-(3-fluoro-5-methoxy-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one?
The canonical SMILES for 1-(3-fluoro-5-methoxy-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one is COc1cnc(-n2cccc(CC(C)C)c2=O)c(F)c1.
What is the InChIKey of 1-(3-fluoro-5-methoxy-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one?
The InChIKey is GARGCEXFYOHDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-10(2)7-11-5-4-6-18(15(11)19)14-13(16)8-12(20-3)9-17-14/h4-6,8-10H,7H2,1-3H3.
What are the key properties of 1-(3-fluoro-5-methoxy-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one?
1-(3-fluoro-5-methoxy-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one has a molecular weight of 276.31 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methoxy-2-pyridinyl)-3-(2-methylpropyl)pyridin-2-one is sourced from PubChem (CID 157069124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).