methyl 6-(pyridin-2-ylmethoxymethyl)pyridine-3-carboxylate

C14H14N2O3 — CID 83214326

IUPACmethyl 6-(pyridin-2-ylmethoxymethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(COCc2ccccn2)nc1
InChIInChI=1S/C14H14N2O3/c1-18-14(17)11-5-6-13(16-8-11)10-19-9-12-4-2-3-7-15-12/h2-8H,9-10H2,1H3
InChIKeyCOLSUWWMOZWQNY-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.98
Rot. Bonds5

About methyl 6-(pyridin-2-ylmethoxymethyl)pyridine-3-carboxylate

methyl 6-(pyridin-2-ylmethoxymethyl)pyridine-3-carboxylate (PubChem CID 83214326) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is methyl 6-(pyridin-2-ylmethoxymethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(pyridin-2-ylmethoxymethyl)pyridine-3-carboxylate
PubChem CID83214326
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Namemethyl 6-(pyridin-2-ylmethoxymethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(COCc2ccccn2)nc1
InChIInChI=1S/C14H14N2O3/c1-18-14(17)11-5-6-13(16-8-11)10-19-9-12-4-2-3-7-15-12/h2-8H,9-10H2,1H3
InChIKeyCOLSUWWMOZWQNY-UHFFFAOYSA-N
XLogP1.98
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-[(2-bromophenyl)methoxymethyl]pyridine-3-carboxylate
CID 82828515
methyl 6-(acetyloxymethyl)pyridine-3-carboxylate
CID 10353032
methyl 6-(chloromethyl)pyridine-3-carboxylate
CID 15331516
ethane;methyl 6-(bromomethyl)pyridine-3-carboxylate
CID 142289362
methyl 3-fluoro-4-(pyridin-2-ylmethoxy)benzoate
CID 69001811
methyl 4-(pyridin-2-ylmethylcarbamoyl)benzoate
CID 9414602
4-(pyridin-2-ylmethoxymethyl)benzoic acid
CID 83213493
1-O-methyl 2-O-(pyridin-2-ylmethyl) benzene-1,2-dicarboxylate
CID 56504965
methyl 6-[(2-methylpropoxyamino)methyl]pyridine-3-carboxylate
CID 82715949
methyl 6-[(pyridazin-3-ylmethylamino)methyl]pyridine-3-carboxylate
CID 106895872
N-methyl-2-(pyridin-2-ylmethoxy)acetamide
CID 66785748
methyl 4-[[2-(pyridin-2-ylmethylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109258769

Frequently Asked Questions

What is the IUPAC name of methyl 6-(pyridin-2-ylmethoxymethyl)pyridine-3-carboxylate?
The IUPAC name of methyl 6-(pyridin-2-ylmethoxymethyl)pyridine-3-carboxylate (CID 83214326) is methyl 6-(pyridin-2-ylmethoxymethyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(pyridin-2-ylmethoxymethyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(pyridin-2-ylmethoxymethyl)pyridine-3-carboxylate is COC(=O)c1ccc(COCc2ccccn2)nc1.
What is the InChIKey of methyl 6-(pyridin-2-ylmethoxymethyl)pyridine-3-carboxylate?
The InChIKey is COLSUWWMOZWQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-18-14(17)11-5-6-13(16-8-11)10-19-9-12-4-2-3-7-15-12/h2-8H,9-10H2,1H3.
What are the key properties of methyl 6-(pyridin-2-ylmethoxymethyl)pyridine-3-carboxylate?
methyl 6-(pyridin-2-ylmethoxymethyl)pyridine-3-carboxylate has a molecular weight of 258.28 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(pyridin-2-ylmethoxymethyl)pyridine-3-carboxylate is sourced from PubChem (CID 83214326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).