methyl 6-(4-methylphenoxy)pyridine-3-carboxylate

C14H13NO3 — CID 123190451

IUPACmethyl 6-(4-methylphenoxy)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(Oc2ccc(C)cc2)nc1
InChIInChI=1S/C14H13NO3/c1-10-3-6-12(7-4-10)18-13-8-5-11(9-15-13)14(16)17-2/h3-9H,1-2H3
InChIKeyCUKOGPJJOQCQBW-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.97
Rot. Bonds3

About methyl 6-(4-methylphenoxy)pyridine-3-carboxylate

methyl 6-(4-methylphenoxy)pyridine-3-carboxylate (PubChem CID 123190451) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is methyl 6-(4-methylphenoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4-methylphenoxy)pyridine-3-carboxylate
PubChem CID123190451
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Namemethyl 6-(4-methylphenoxy)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(Oc2ccc(C)cc2)nc1
InChIInChI=1S/C14H13NO3/c1-10-3-6-12(7-4-10)18-13-8-5-11(9-15-13)14(16)17-2/h3-9H,1-2H3
InChIKeyCUKOGPJJOQCQBW-UHFFFAOYSA-N
XLogP2.97
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-[4-(2-amino-2-methylpropyl)phenoxy]pyridine-3-carboxylate
CID 70243352
methyl 4-[[5-(hydroxymethyl)-2-pyridinyl]oxy]benzoate
CID 138986702
methyl 6-[4-(1,1,2,2,3,3-hexafluorobutyl)phenoxy]pyridine-3-carboxylate
CID 147220326
methyl 4-[(4-methyl-2-pyridinyl)oxy]benzoate
CID 65018945
ethyl 6-(4-fluorophenoxy)pyridine-3-carboxylate
CID 23149051
methyl 4-methylbenzoate
CID 7455
methyl 4-methylbenzoate
CID 91113291
1-(4-methoxyphenyl)-3-[6-(4-methylphenoxy)-3-pyridinyl]urea
CID 42691260
ethyl 6-[4-(aminomethyl)phenoxy]pyridine-3-carboxylate
CID 106485599
ethyl 6-[4-(methylaminomethyl)phenoxy]pyridine-3-carboxylate
CID 106486678
methyl 6-(methoxymethoxy)pyridine-3-carboxylate
CID 50896445
methyl 6-[4-[methyl(quinazolin-4-yl)amino]phenoxy]pyridine-3-carboxylate
CID 122550232

Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-methylphenoxy)pyridine-3-carboxylate?
The IUPAC name of methyl 6-(4-methylphenoxy)pyridine-3-carboxylate (CID 123190451) is methyl 6-(4-methylphenoxy)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(4-methylphenoxy)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(4-methylphenoxy)pyridine-3-carboxylate is COC(=O)c1ccc(Oc2ccc(C)cc2)nc1.
What is the InChIKey of methyl 6-(4-methylphenoxy)pyridine-3-carboxylate?
The InChIKey is CUKOGPJJOQCQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-10-3-6-12(7-4-10)18-13-8-5-11(9-15-13)14(16)17-2/h3-9H,1-2H3.
What are the key properties of methyl 6-(4-methylphenoxy)pyridine-3-carboxylate?
methyl 6-(4-methylphenoxy)pyridine-3-carboxylate has a molecular weight of 243.26 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4-methylphenoxy)pyridine-3-carboxylate is sourced from PubChem (CID 123190451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).