methyl 4-[(4-methyl-2-pyridinyl)oxy]benzoate

C14H13NO3 — CID 65018945

IUPACmethyl 4-[(4-methyl-2-pyridinyl)oxy]benzoate
SMILESCOC(=O)c1ccc(Oc2cc(C)ccn2)cc1
InChIInChI=1S/C14H13NO3/c1-10-7-8-15-13(9-10)18-12-5-3-11(4-6-12)14(16)17-2/h3-9H,1-2H3
InChIKeyDMQRPVVYKVLFHC-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.97
Rot. Bonds3

About methyl 4-[(4-methyl-2-pyridinyl)oxy]benzoate

methyl 4-[(4-methyl-2-pyridinyl)oxy]benzoate (PubChem CID 65018945) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is methyl 4-[(4-methyl-2-pyridinyl)oxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[(4-methyl-2-pyridinyl)oxy]benzoate
PubChem CID65018945
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Namemethyl 4-[(4-methyl-2-pyridinyl)oxy]benzoate
SMILESCOC(=O)c1ccc(Oc2cc(C)ccn2)cc1
InChIInChI=1S/C14H13NO3/c1-10-7-8-15-13(9-10)18-12-5-3-11(4-6-12)14(16)17-2/h3-9H,1-2H3
InChIKeyDMQRPVVYKVLFHC-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-methylphenoxy)pyridine-3-carboxylate
CID 123190451
5-methoxy-N-methyl-2-[[4-[(4-methyl-2-pyridinyl)oxy]benzoyl]amino]benzamide
CID 167764464
2-[4-[(4-methyl-2-pyridinyl)oxy]phenyl]ethanol
CID 107709611
methyl 4-[[4,6-bis(4-methoxycarbonylphenoxy)-1,3,5-triazin-2-yl]oxy]benzoate
CID 3094623
methyl 4-methylpyridine-2-carboxylate
CID 10920693
methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate
CID 10315855
methyl 4-methylbenzoate
CID 91113291
methyl 4-methylbenzoate
CID 7455
methyl 4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzoate
CID 165391069
methyl 4-[[5-(hydroxymethyl)-2-pyridinyl]oxy]benzoate
CID 138986702
methyl 4-[4-(4-hydroxyphenoxy)phenoxy]benzoate
CID 10314933
methyl 4-[[5,8,11,20-tetrakis(4-methoxycarbonylphenoxy)-2-hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4(17),5,7,9,11,13(20),14(18),15-decaenyl]oxy]benzoate
CID 44542692

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-methyl-2-pyridinyl)oxy]benzoate?
The IUPAC name of methyl 4-[(4-methyl-2-pyridinyl)oxy]benzoate (CID 65018945) is methyl 4-[(4-methyl-2-pyridinyl)oxy]benzoate.
What is the SMILES notation for methyl 4-[(4-methyl-2-pyridinyl)oxy]benzoate?
The canonical SMILES for methyl 4-[(4-methyl-2-pyridinyl)oxy]benzoate is COC(=O)c1ccc(Oc2cc(C)ccn2)cc1.
What is the InChIKey of methyl 4-[(4-methyl-2-pyridinyl)oxy]benzoate?
The InChIKey is DMQRPVVYKVLFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-10-7-8-15-13(9-10)18-12-5-3-11(4-6-12)14(16)17-2/h3-9H,1-2H3.
What are the key properties of methyl 4-[(4-methyl-2-pyridinyl)oxy]benzoate?
methyl 4-[(4-methyl-2-pyridinyl)oxy]benzoate 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 4-[(4-methyl-2-pyridinyl)oxy]benzoate is sourced from PubChem (CID 65018945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).