methyl 5-(4-methylphenoxy)pyridine-2-carboxylate

C14H13NO3 — CID 59966219

IUPACmethyl 5-(4-methylphenoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(Oc2ccc(C)cc2)cn1
InChIInChI=1S/C14H13NO3/c1-10-3-5-11(6-4-10)18-12-7-8-13(15-9-12)14(16)17-2/h3-9H,1-2H3
InChIKeyIDPXJPCOUTVHBL-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.97
Rot. Bonds3

About methyl 5-(4-methylphenoxy)pyridine-2-carboxylate

methyl 5-(4-methylphenoxy)pyridine-2-carboxylate (PubChem CID 59966219) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is methyl 5-(4-methylphenoxy)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-methylphenoxy)pyridine-2-carboxylate
PubChem CID59966219
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Namemethyl 5-(4-methylphenoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(Oc2ccc(C)cc2)cn1
InChIInChI=1S/C14H13NO3/c1-10-3-5-11(6-4-10)18-12-7-8-13(15-9-12)14(16)17-2/h3-9H,1-2H3
InChIKeyIDPXJPCOUTVHBL-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

carbon dioxide;methyl 5-methylpyridine-2-carboxylate
CID 157165111
methyl 5-(6-methoxycarbonyl-3-pyridinyl)pyridine-2-carboxylate
CID 46738787
methyl 5-(2-methoxyethoxy)pyridine-2-carboxylate
CID 66665588
methyl 5-(3-nitrophenoxy)pyridine-2-carboxylate
CID 58968821
methyl 6-(4-methylphenoxy)pyridine-3-carboxylate
CID 123190451
methyl 5-(2-nitrophenoxy)pyridine-2-carboxylate
CID 171322995
1-[5-(3,5-dimethylphenoxy)-2-pyridinyl]ethanone
CID 83119321
methyl 5-bromopyridine-2-carboxylate
CID 7016458
methyl 5-chloropyridine-2-carboxylate
CID 11298216
1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone
CID 83119787
5-(4-bromophenoxy)pyridine-2-carboxylic acid
CID 23335277
methyl 5-[[(5R)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxylate
CID 88979364

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-methylphenoxy)pyridine-2-carboxylate?
The IUPAC name of methyl 5-(4-methylphenoxy)pyridine-2-carboxylate (CID 59966219) is methyl 5-(4-methylphenoxy)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-(4-methylphenoxy)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-(4-methylphenoxy)pyridine-2-carboxylate is COC(=O)c1ccc(Oc2ccc(C)cc2)cn1.
What is the InChIKey of methyl 5-(4-methylphenoxy)pyridine-2-carboxylate?
The InChIKey is IDPXJPCOUTVHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-10-3-5-11(6-4-10)18-12-7-8-13(15-9-12)14(16)17-2/h3-9H,1-2H3.
What are the key properties of methyl 5-(4-methylphenoxy)pyridine-2-carboxylate?
methyl 5-(4-methylphenoxy)pyridine-2-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 5-(4-methylphenoxy)pyridine-2-carboxylate is sourced from PubChem (CID 59966219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).