4-(pyridin-3-ylmethoxy)benzoate

C13H10NO3- — CID 40981209

IUPAC4-(pyridin-3-ylmethoxy)benzoate
SMILESO=C([O-])c1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C13H11NO3/c15-13(16)11-3-5-12(6-4-11)17-9-10-2-1-7-14-8-10/h1-8H,9H2,(H,15,16)/p-1
InChIKeyWIYQURISXJRWLD-UHFFFAOYSA-M
MW228.23 g/mol
LogP1.02
Rot. Bonds4

About 4-(pyridin-3-ylmethoxy)benzoate

4-(pyridin-3-ylmethoxy)benzoate (PubChem CID 40981209) has the molecular formula C13H10NO3- and a molecular weight of 228.23 g/mol. Its IUPAC name is 4-(pyridin-3-ylmethoxy)benzoate.

Molecular Properties

Compound Name4-(pyridin-3-ylmethoxy)benzoate
PubChem CID40981209
Molecular FormulaC13H10NO3-
Molecular Weight228.23 g/mol
Exact Mass228.07
IUPAC Name4-(pyridin-3-ylmethoxy)benzoate
SMILESO=C([O-])c1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C13H11NO3/c15-13(16)11-3-5-12(6-4-11)17-9-10-2-1-7-14-8-10/h1-8H,9H2,(H,15,16)/p-1
InChIKeyWIYQURISXJRWLD-UHFFFAOYSA-M
XLogP1.02
TPSA62.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
4-[4-(pyridin-3-ylmethoxy)anilino]benzoic acid
CID 70036759
2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide
CID 47294468
3-(phenoxymethyl)pyridine;hydrochloride
CID 157085776
N'-hydroxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 57368818
(NE)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylidene]hydroxylamine
CID 24709882
3-[(4-isocyanatophenoxy)methyl]pyridine
CID 169353619
4-(pyridin-3-ylmethoxy)benzenecarboximidamide;dihydrochloride
CID 47002329
4-iodo-3-(pyridin-3-ylmethoxy)benzoic acid
CID 114103651
N-[4-(pyridin-3-ylmethoxy)phenyl]sulfonylbenzamide
CID 144935099
1-[3-(pyridin-3-ylmethoxy)phenyl]ethanone
CID 24704115
4-phenyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 46476162

Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-3-ylmethoxy)benzoate?
The IUPAC name of 4-(pyridin-3-ylmethoxy)benzoate (CID 40981209) is 4-(pyridin-3-ylmethoxy)benzoate.
What is the SMILES notation for 4-(pyridin-3-ylmethoxy)benzoate?
The canonical SMILES for 4-(pyridin-3-ylmethoxy)benzoate is O=C([O-])c1ccc(OCc2cccnc2)cc1.
What is the InChIKey of 4-(pyridin-3-ylmethoxy)benzoate?
The InChIKey is WIYQURISXJRWLD-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H11NO3/c15-13(16)11-3-5-12(6-4-11)17-9-10-2-1-7-14-8-10/h1-8H,9H2,(H,15,16)/p-1.
What are the key properties of 4-(pyridin-3-ylmethoxy)benzoate?
4-(pyridin-3-ylmethoxy)benzoate has a molecular weight of 228.23 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-3-ylmethoxy)benzoate is sourced from PubChem (CID 40981209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).