methyl 4-(2-fluoro-6-methoxyphenyl)-6-(oxan-2-yloxymethyl)pyridine-3-carboxylate

C20H22FNO5 — CID 155342350

IUPACmethyl 4-(2-fluoro-6-methoxyphenyl)-6-(oxan-2-yloxymethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(COC2CCCCO2)cc1-c1c(F)cccc1OC
InChIInChI=1S/C20H22FNO5/c1-24-17-7-5-6-16(21)19(17)14-10-13(22-11-15(14)20(23)25-2)12-27-18-8-3-4-9-26-18/h5-7,10-11,18H,3-4,8-9,12H2,1-2H3
InChIKeyHTZSHPCIJNHTTQ-UHFFFAOYSA-N
MW375.40 g/mol
LogP3.73
Rot. Bonds6

About methyl 4-(2-fluoro-6-methoxyphenyl)-6-(oxan-2-yloxymethyl)pyridine-3-carboxylate

methyl 4-(2-fluoro-6-methoxyphenyl)-6-(oxan-2-yloxymethyl)pyridine-3-carboxylate (PubChem CID 155342350) has the molecular formula C20H22FNO5 and a molecular weight of 375.40 g/mol. Its IUPAC name is methyl 4-(2-fluoro-6-methoxyphenyl)-6-(oxan-2-yloxymethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-fluoro-6-methoxyphenyl)-6-(oxan-2-yloxymethyl)pyridine-3-carboxylate
PubChem CID155342350
Molecular FormulaC20H22FNO5
Molecular Weight375.40 g/mol
Exact Mass375.15
IUPAC Namemethyl 4-(2-fluoro-6-methoxyphenyl)-6-(oxan-2-yloxymethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(COC2CCCCO2)cc1-c1c(F)cccc1OC
InChIInChI=1S/C20H22FNO5/c1-24-17-7-5-6-16(21)19(17)14-10-13(22-11-15(14)20(23)25-2)12-27-18-8-3-4-9-26-18/h5-7,10-11,18H,3-4,8-9,12H2,1-2H3
InChIKeyHTZSHPCIJNHTTQ-UHFFFAOYSA-N
XLogP3.73
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[2-methyl-6-(oxan-2-yloxymethyl)-4-pyridinyl]benzoate
CID 69489989
2-[(2,3-dimethoxyphenyl)methoxy]oxane
CID 11265241
2-[(4-methoxy-3-methylphenyl)methoxy]oxane
CID 66596594
methyl 2,6-diethyl-4-(4-fluorophenyl)-5-(oxan-2-yloxymethyl)pyridine-3-carboxylate
CID 14652778
methyl 2-fluoro-4-(oxan-2-yloxy)benzoate
CID 167443714
methyl 4-(2-chloro-6-methoxyphenyl)-6-methylpyridine-3-carboxylate
CID 166162954
methyl 7-[3-(oxan-2-yloxymethyl)phenyl]naphthalene-2-carboxylate
CID 10022408
methyl 4-bromo-2-methyl-3-[2-(oxan-2-yloxy)ethoxy]benzoate
CID 90411719
methyl 5-(2-fluoro-6-methoxyphenyl)pyrimidine-4-carboxylate
CID 163390834
2-[(3-fluorophenyl)methoxy]oxane
CID 22446153
tert-butyl 3-[3-[2-(oxan-2-yloxymethyl)-4-pyridinyl]phenyl]-3-oxopropanoate
CID 69486907
dimethyl 6-(2-fluoro-6-methoxyphenyl)pyrazolo[1,5-a]pyridine-3,5-dicarboxylate
CID 163390715

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-fluoro-6-methoxyphenyl)-6-(oxan-2-yloxymethyl)pyridine-3-carboxylate?
The IUPAC name of methyl 4-(2-fluoro-6-methoxyphenyl)-6-(oxan-2-yloxymethyl)pyridine-3-carboxylate (CID 155342350) is methyl 4-(2-fluoro-6-methoxyphenyl)-6-(oxan-2-yloxymethyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-(2-fluoro-6-methoxyphenyl)-6-(oxan-2-yloxymethyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 4-(2-fluoro-6-methoxyphenyl)-6-(oxan-2-yloxymethyl)pyridine-3-carboxylate is COC(=O)c1cnc(COC2CCCCO2)cc1-c1c(F)cccc1OC.
What is the InChIKey of methyl 4-(2-fluoro-6-methoxyphenyl)-6-(oxan-2-yloxymethyl)pyridine-3-carboxylate?
The InChIKey is HTZSHPCIJNHTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO5/c1-24-17-7-5-6-16(21)19(17)14-10-13(22-11-15(14)20(23)25-2)12-27-18-8-3-4-9-26-18/h5-7,10-11,18H,3-4,8-9,12H2,1-2H3.
What are the key properties of methyl 4-(2-fluoro-6-methoxyphenyl)-6-(oxan-2-yloxymethyl)pyridine-3-carboxylate?
methyl 4-(2-fluoro-6-methoxyphenyl)-6-(oxan-2-yloxymethyl)pyridine-3-carboxylate has a molecular weight of 375.40 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-fluoro-6-methoxyphenyl)-6-(oxan-2-yloxymethyl)pyridine-3-carboxylate is sourced from PubChem (CID 155342350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).