methyl 4-[[5-(hydroxymethyl)-2-pyridinyl]oxy]benzoate

C14H13NO4 — CID 138986702

IUPACmethyl 4-[[5-(hydroxymethyl)-2-pyridinyl]oxy]benzoate
SMILESCOC(=O)c1ccc(Oc2ccc(CO)cn2)cc1
InChIInChI=1S/C14H13NO4/c1-18-14(17)11-3-5-12(6-4-11)19-13-7-2-10(9-16)8-15-13/h2-8,16H,9H2,1H3
InChIKeyWIJOLDGFSKQNTO-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.15
Rot. Bonds4

About methyl 4-[[5-(hydroxymethyl)-2-pyridinyl]oxy]benzoate

methyl 4-[[5-(hydroxymethyl)-2-pyridinyl]oxy]benzoate (PubChem CID 138986702) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is methyl 4-[[5-(hydroxymethyl)-2-pyridinyl]oxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[[5-(hydroxymethyl)-2-pyridinyl]oxy]benzoate
PubChem CID138986702
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Namemethyl 4-[[5-(hydroxymethyl)-2-pyridinyl]oxy]benzoate
SMILESCOC(=O)c1ccc(Oc2ccc(CO)cn2)cc1
InChIInChI=1S/C14H13NO4/c1-18-14(17)11-3-5-12(6-4-11)19-13-7-2-10(9-16)8-15-13/h2-8,16H,9H2,1H3
InChIKeyWIJOLDGFSKQNTO-UHFFFAOYSA-N
XLogP2.15
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6-methoxy-3-pyridinyl)methanol;methyl 6-methoxypyridine-3-carboxylate
CID 158477481
methyl 6-(4-methylphenoxy)pyridine-3-carboxylate
CID 123190451
methyl 6-[4-(2-amino-2-methylpropyl)phenoxy]pyridine-3-carboxylate
CID 70243352
ethyl 4-[[5-(2-hydroxyethyl)-2-pyridinyl]oxy]benzoate
CID 143813025
methyl 4-[[4-(hydroxymethyl)phenoxy]methyl]benzoate
CID 23631878
methyl 4-[[5-[(3-amino-2-oxopropanoyl)amino]-2-pyridinyl]oxy]benzoate
CID 58231100
6-(4-ethylphenoxy)pyridine-3-carboxamide
CID 91553748
methyl 5-(hydroxymethyl)pyridine-2-carboxylate
CID 18974051
ethyl 6-[4-(aminomethyl)phenoxy]pyridine-3-carboxylate
CID 106485599
4-[[5-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]benzamide
CID 80637430
6-[4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]pyridine-3-carboxamide
CID 68745018
ethyl 6-[4-(methylaminomethyl)phenoxy]pyridine-3-carboxylate
CID 106486678

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-(hydroxymethyl)-2-pyridinyl]oxy]benzoate?
The IUPAC name of methyl 4-[[5-(hydroxymethyl)-2-pyridinyl]oxy]benzoate (CID 138986702) is methyl 4-[[5-(hydroxymethyl)-2-pyridinyl]oxy]benzoate.
What is the SMILES notation for methyl 4-[[5-(hydroxymethyl)-2-pyridinyl]oxy]benzoate?
The canonical SMILES for methyl 4-[[5-(hydroxymethyl)-2-pyridinyl]oxy]benzoate is COC(=O)c1ccc(Oc2ccc(CO)cn2)cc1.
What is the InChIKey of methyl 4-[[5-(hydroxymethyl)-2-pyridinyl]oxy]benzoate?
The InChIKey is WIJOLDGFSKQNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-18-14(17)11-3-5-12(6-4-11)19-13-7-2-10(9-16)8-15-13/h2-8,16H,9H2,1H3.
What are the key properties of methyl 4-[[5-(hydroxymethyl)-2-pyridinyl]oxy]benzoate?
methyl 4-[[5-(hydroxymethyl)-2-pyridinyl]oxy]benzoate has a molecular weight of 259.26 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-(hydroxymethyl)-2-pyridinyl]oxy]benzoate is sourced from PubChem (CID 138986702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).