methyl 2-fluoro-4-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]-5-hydroxybenzoate

C14H11F2NO4 — CID 118454612

IUPACmethyl 2-fluoro-4-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]-5-hydroxybenzoate
SMILESCOC(=O)c1cc(O)c(Cc2cc(F)c[nH]c2=O)cc1F
InChIInChI=1S/C14H11F2NO4/c1-21-14(20)10-5-12(18)7(4-11(10)16)2-8-3-9(15)6-17-13(8)19/h3-6,18H,2H2,1H3,(H,17,19)
InChIKeyDFQGDCCQWSQIGQ-UHFFFAOYSA-N
MW295.24 g/mol
LogP1.74
Rot. Bonds3

About methyl 2-fluoro-4-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]-5-hydroxybenzoate

methyl 2-fluoro-4-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]-5-hydroxybenzoate (PubChem CID 118454612) has the molecular formula C14H11F2NO4 and a molecular weight of 295.24 g/mol. Its IUPAC name is methyl 2-fluoro-4-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]-5-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 2-fluoro-4-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]-5-hydroxybenzoate
PubChem CID118454612
Molecular FormulaC14H11F2NO4
Molecular Weight295.24 g/mol
Exact Mass295.07
IUPAC Namemethyl 2-fluoro-4-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]-5-hydroxybenzoate
SMILESCOC(=O)c1cc(O)c(Cc2cc(F)c[nH]c2=O)cc1F
InChIInChI=1S/C14H11F2NO4/c1-21-14(20)10-5-12(18)7(4-11(10)16)2-8-3-9(15)6-17-13(8)19/h3-6,18H,2H2,1H3,(H,17,19)
InChIKeyDFQGDCCQWSQIGQ-UHFFFAOYSA-N
XLogP1.74
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.24
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-4-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]-5-hydroxybenzoate?
The IUPAC name of methyl 2-fluoro-4-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]-5-hydroxybenzoate (CID 118454612) is methyl 2-fluoro-4-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]-5-hydroxybenzoate.
What is the SMILES notation for methyl 2-fluoro-4-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]-5-hydroxybenzoate?
The canonical SMILES for methyl 2-fluoro-4-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]-5-hydroxybenzoate is COC(=O)c1cc(O)c(Cc2cc(F)c[nH]c2=O)cc1F.
What is the InChIKey of methyl 2-fluoro-4-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]-5-hydroxybenzoate?
The InChIKey is DFQGDCCQWSQIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO4/c1-21-14(20)10-5-12(18)7(4-11(10)16)2-8-3-9(15)6-17-13(8)19/h3-6,18H,2H2,1H3,(H,17,19).
What are the key properties of methyl 2-fluoro-4-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]-5-hydroxybenzoate?
methyl 2-fluoro-4-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]-5-hydroxybenzoate has a molecular weight of 295.24 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-4-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]-5-hydroxybenzoate is sourced from PubChem (CID 118454612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).