pyridin-3-yl 4-methoxybenzoate

C13H11NO3 — CID 1120962

IUPACpyridin-3-yl 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2cccnc2)cc1
InChIInChI=1S/C13H11NO3/c1-16-11-6-4-10(5-7-11)13(15)17-12-3-2-8-14-9-12/h2-9H,1H3
InChIKeySAWNYFZZFROOIO-UHFFFAOYSA-N
MW229.23 g/mol
LogP2.31
Rot. Bonds3

About pyridin-3-yl 4-methoxybenzoate

pyridin-3-yl 4-methoxybenzoate (PubChem CID 1120962) has the molecular formula C13H11NO3 and a molecular weight of 229.23 g/mol. Its IUPAC name is pyridin-3-yl 4-methoxybenzoate.

Molecular Properties

Compound Namepyridin-3-yl 4-methoxybenzoate
PubChem CID1120962
Molecular FormulaC13H11NO3
Molecular Weight229.23 g/mol
Exact Mass229.07
IUPAC Namepyridin-3-yl 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2cccnc2)cc1
InChIInChI=1S/C13H11NO3/c1-16-11-6-4-10(5-7-11)13(15)17-12-3-2-8-14-9-12/h2-9H,1H3
InChIKeySAWNYFZZFROOIO-UHFFFAOYSA-N
XLogP2.31
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pyridin-3-yl 3-chlorobenzoate
CID 943638
4-Methylphenyl pyridine-3-carboxylate
CID 735961
4-Methoxy-3-[(pyridin-3-ylmethyl)-amino]-benzoic acid
CID 3162138
(E)-1-(4-methoxyphenyl)-3-(3-pyridyl)prop-2-en-1-one
CID 5717022
1-(2,4-Dimethoxyphenyl)-3-(3-pyridinyl)-2-propen-1-one
CID 5720628
2-Methylphenyl nicotinate
CID 829373
1-(4-Methoxyphenyl)-3-(pyridin-4-yl)prop-2-en-1-one
CID 5712235
(4-Methoxyphenyl)-2-pyridinylmethanone
CID 80559
5-(Benzyloxy)pyridine-2-carboxylic acid
CID 18379352
2,5-Dimethylphenyl isonicotinate
CID 821673
5-Chloropyridin-3-yl 4-chlorobenzoate
CID 16202740
5-Chloropyridin-3-yl 3-methoxybenzoate
CID 16204324

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl 4-methoxybenzoate?
The IUPAC name of pyridin-3-yl 4-methoxybenzoate (CID 1120962) is pyridin-3-yl 4-methoxybenzoate.
What is the SMILES notation for pyridin-3-yl 4-methoxybenzoate?
The canonical SMILES for pyridin-3-yl 4-methoxybenzoate is COc1ccc(C(=O)Oc2cccnc2)cc1.
What is the InChIKey of pyridin-3-yl 4-methoxybenzoate?
The InChIKey is SAWNYFZZFROOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c1-16-11-6-4-10(5-7-11)13(15)17-12-3-2-8-14-9-12/h2-9H,1H3.
What are the key properties of pyridin-3-yl 4-methoxybenzoate?
pyridin-3-yl 4-methoxybenzoate has a molecular weight of 229.23 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl 4-methoxybenzoate is sourced from PubChem (CID 1120962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).