methyl 6-[[2-fluoro-4-(hydroxymethyl)phenoxy]methyl]pyridine-3-carboxylate

C15H14FNO4 — CID 107690536

IUPACmethyl 6-[[2-fluoro-4-(hydroxymethyl)phenoxy]methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(COc2ccc(CO)cc2F)nc1
InChIInChI=1S/C15H14FNO4/c1-20-15(19)11-3-4-12(17-7-11)9-21-14-5-2-10(8-18)6-13(14)16/h2-7,18H,8-9H2,1H3
InChIKeyJIPYTOJIRGOYCW-UHFFFAOYSA-N
MW291.28 g/mol
LogP2.08
Rot. Bonds5

About methyl 6-[[2-fluoro-4-(hydroxymethyl)phenoxy]methyl]pyridine-3-carboxylate

methyl 6-[[2-fluoro-4-(hydroxymethyl)phenoxy]methyl]pyridine-3-carboxylate (PubChem CID 107690536) has the molecular formula C15H14FNO4 and a molecular weight of 291.28 g/mol. Its IUPAC name is methyl 6-[[2-fluoro-4-(hydroxymethyl)phenoxy]methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[2-fluoro-4-(hydroxymethyl)phenoxy]methyl]pyridine-3-carboxylate
PubChem CID107690536
Molecular FormulaC15H14FNO4
Molecular Weight291.28 g/mol
Exact Mass291.09
IUPAC Namemethyl 6-[[2-fluoro-4-(hydroxymethyl)phenoxy]methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(COc2ccc(CO)cc2F)nc1
InChIInChI=1S/C15H14FNO4/c1-20-15(19)11-3-4-12(17-7-11)9-21-14-5-2-10(8-18)6-13(14)16/h2-7,18H,8-9H2,1H3
InChIKeyJIPYTOJIRGOYCW-UHFFFAOYSA-N
XLogP2.08
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-fluoro-4-(pyridin-2-ylmethoxy)benzoate
CID 69001811
methyl 2-[5-(hydroxymethyl)-2-[(5-methoxycarbonyl-2-pyridinyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylate
CID 155761522
methyl 4-[(4-amino-2-fluorophenoxy)methyl]benzoate
CID 43259245
methyl 6-[(2-amino-6-fluorophenoxy)methyl]pyridine-3-carboxylate
CID 104831209
methyl 6-(acetyloxymethyl)pyridine-3-carboxylate
CID 10353032
methyl 6-[[3-(3-hydroxy-2-methylphenyl)-2-methylphenoxy]methyl]pyridine-3-carboxylate
CID 162377279
methyl 6-[(4-bromo-3,5-dimethylphenoxy)methyl]pyridine-3-carboxylate
CID 107722368
(6-methoxy-3-pyridinyl)methanol;methyl 6-methoxypyridine-3-carboxylate
CID 158477481
methyl 6-(chloromethyl)pyridine-3-carboxylate
CID 15331516
ethane;methyl 6-(bromomethyl)pyridine-3-carboxylate
CID 142289362
methyl 4-[(3-fluoro-4-methoxyphenyl)methyl-methylcarbamoyl]benzoate
CID 31917214
ethane;methyl 6-[(3-fluorophenyl)methyl]pyridine-3-carboxylate
CID 91575193

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[2-fluoro-4-(hydroxymethyl)phenoxy]methyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[[2-fluoro-4-(hydroxymethyl)phenoxy]methyl]pyridine-3-carboxylate (CID 107690536) is methyl 6-[[2-fluoro-4-(hydroxymethyl)phenoxy]methyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[2-fluoro-4-(hydroxymethyl)phenoxy]methyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[2-fluoro-4-(hydroxymethyl)phenoxy]methyl]pyridine-3-carboxylate is COC(=O)c1ccc(COc2ccc(CO)cc2F)nc1.
What is the InChIKey of methyl 6-[[2-fluoro-4-(hydroxymethyl)phenoxy]methyl]pyridine-3-carboxylate?
The InChIKey is JIPYTOJIRGOYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4/c1-20-15(19)11-3-4-12(17-7-11)9-21-14-5-2-10(8-18)6-13(14)16/h2-7,18H,8-9H2,1H3.
What are the key properties of methyl 6-[[2-fluoro-4-(hydroxymethyl)phenoxy]methyl]pyridine-3-carboxylate?
methyl 6-[[2-fluoro-4-(hydroxymethyl)phenoxy]methyl]pyridine-3-carboxylate has a molecular weight of 291.28 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[2-fluoro-4-(hydroxymethyl)phenoxy]methyl]pyridine-3-carboxylate is sourced from PubChem (CID 107690536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).