methyl 2-fluoro-4-[(4-methyl-2-oxo-1-pyridinyl)methyl]benzoate

C15H14FNO3 — CID 103749426

IUPACmethyl 2-fluoro-4-[(4-methyl-2-oxo-1-pyridinyl)methyl]benzoate
SMILESCOC(=O)c1ccc(Cn2ccc(C)cc2=O)cc1F
InChIInChI=1S/C15H14FNO3/c1-10-5-6-17(14(18)7-10)9-11-3-4-12(13(16)8-11)15(19)20-2/h3-8H,9H2,1-2H3
InChIKeyVLUPNMYUNNUKPE-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.13
Rot. Bonds3

About methyl 2-fluoro-4-[(4-methyl-2-oxo-1-pyridinyl)methyl]benzoate

methyl 2-fluoro-4-[(4-methyl-2-oxo-1-pyridinyl)methyl]benzoate (PubChem CID 103749426) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is methyl 2-fluoro-4-[(4-methyl-2-oxo-1-pyridinyl)methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-fluoro-4-[(4-methyl-2-oxo-1-pyridinyl)methyl]benzoate
PubChem CID103749426
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Namemethyl 2-fluoro-4-[(4-methyl-2-oxo-1-pyridinyl)methyl]benzoate
SMILESCOC(=O)c1ccc(Cn2ccc(C)cc2=O)cc1F
InChIInChI=1S/C15H14FNO3/c1-10-5-6-17(14(18)7-10)9-11-3-4-12(13(16)8-11)15(19)20-2/h3-8H,9H2,1-2H3
InChIKeyVLUPNMYUNNUKPE-UHFFFAOYSA-N
XLogP2.13
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-4-[(4-methyl-2-oxo-1-pyridinyl)methyl]benzoate?
The IUPAC name of methyl 2-fluoro-4-[(4-methyl-2-oxo-1-pyridinyl)methyl]benzoate (CID 103749426) is methyl 2-fluoro-4-[(4-methyl-2-oxo-1-pyridinyl)methyl]benzoate.
What is the SMILES notation for methyl 2-fluoro-4-[(4-methyl-2-oxo-1-pyridinyl)methyl]benzoate?
The canonical SMILES for methyl 2-fluoro-4-[(4-methyl-2-oxo-1-pyridinyl)methyl]benzoate is COC(=O)c1ccc(Cn2ccc(C)cc2=O)cc1F.
What is the InChIKey of methyl 2-fluoro-4-[(4-methyl-2-oxo-1-pyridinyl)methyl]benzoate?
The InChIKey is VLUPNMYUNNUKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-10-5-6-17(14(18)7-10)9-11-3-4-12(13(16)8-11)15(19)20-2/h3-8H,9H2,1-2H3.
What are the key properties of methyl 2-fluoro-4-[(4-methyl-2-oxo-1-pyridinyl)methyl]benzoate?
methyl 2-fluoro-4-[(4-methyl-2-oxo-1-pyridinyl)methyl]benzoate has a molecular weight of 275.28 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-4-[(4-methyl-2-oxo-1-pyridinyl)methyl]benzoate is sourced from PubChem (CID 103749426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).