5-fluoro-1-[(6-methoxy-3-pyridinyl)methyl]pyridin-2-one

C12H11FN2O2 — CID 91651678

IUPAC5-fluoro-1-[(6-methoxy-3-pyridinyl)methyl]pyridin-2-one
SMILESCOc1ccc(Cn2cc(F)ccc2=O)cn1
InChIInChI=1S/C12H11FN2O2/c1-17-11-4-2-9(6-14-11)7-15-8-10(13)3-5-12(15)16/h2-6,8H,7H2,1H3
InChIKeyQYDNHFDQOSMYHP-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.44
Rot. Bonds3

About 5-fluoro-1-[(6-methoxy-3-pyridinyl)methyl]pyridin-2-one

5-fluoro-1-[(6-methoxy-3-pyridinyl)methyl]pyridin-2-one (PubChem CID 91651678) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 5-fluoro-1-[(6-methoxy-3-pyridinyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-1-[(6-methoxy-3-pyridinyl)methyl]pyridin-2-one
PubChem CID91651678
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name5-fluoro-1-[(6-methoxy-3-pyridinyl)methyl]pyridin-2-one
SMILESCOc1ccc(Cn2cc(F)ccc2=O)cn1
InChIInChI=1S/C12H11FN2O2/c1-17-11-4-2-9(6-14-11)7-15-8-10(13)3-5-12(15)16/h2-6,8H,7H2,1H3
InChIKeyQYDNHFDQOSMYHP-UHFFFAOYSA-N
XLogP1.44
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(6-methoxy-3-pyridinyl)methyl]pyridin-2-one?
The IUPAC name of 5-fluoro-1-[(6-methoxy-3-pyridinyl)methyl]pyridin-2-one (CID 91651678) is 5-fluoro-1-[(6-methoxy-3-pyridinyl)methyl]pyridin-2-one.
What is the SMILES notation for 5-fluoro-1-[(6-methoxy-3-pyridinyl)methyl]pyridin-2-one?
The canonical SMILES for 5-fluoro-1-[(6-methoxy-3-pyridinyl)methyl]pyridin-2-one is COc1ccc(Cn2cc(F)ccc2=O)cn1.
What is the InChIKey of 5-fluoro-1-[(6-methoxy-3-pyridinyl)methyl]pyridin-2-one?
The InChIKey is QYDNHFDQOSMYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c1-17-11-4-2-9(6-14-11)7-15-8-10(13)3-5-12(15)16/h2-6,8H,7H2,1H3.
What are the key properties of 5-fluoro-1-[(6-methoxy-3-pyridinyl)methyl]pyridin-2-one?
5-fluoro-1-[(6-methoxy-3-pyridinyl)methyl]pyridin-2-one has a molecular weight of 234.23 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(6-methoxy-3-pyridinyl)methyl]pyridin-2-one is sourced from PubChem (CID 91651678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).