methyl 3-(pyridin-4-ylmethoxy)pyridine-2-carboxylate

C13H12N2O3 — CID 59152590

IUPACmethyl 3-(pyridin-4-ylmethoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1OCc1ccncc1
InChIInChI=1S/C13H12N2O3/c1-17-13(16)12-11(3-2-6-15-12)18-9-10-4-7-14-8-5-10/h2-8H,9H2,1H3
InChIKeyZEJNEMFBDQYLDZ-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.84
Rot. Bonds4

About methyl 3-(pyridin-4-ylmethoxy)pyridine-2-carboxylate

methyl 3-(pyridin-4-ylmethoxy)pyridine-2-carboxylate (PubChem CID 59152590) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is methyl 3-(pyridin-4-ylmethoxy)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(pyridin-4-ylmethoxy)pyridine-2-carboxylate
PubChem CID59152590
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Namemethyl 3-(pyridin-4-ylmethoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1OCc1ccncc1
InChIInChI=1S/C13H12N2O3/c1-17-13(16)12-11(3-2-6-15-12)18-9-10-4-7-14-8-5-10/h2-8H,9H2,1H3
InChIKeyZEJNEMFBDQYLDZ-UHFFFAOYSA-N
XLogP1.84
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]pyridine-2-carboxylate
CID 71909586
methyl 3-methoxy-4-(pyridin-4-ylmethoxy)benzoate
CID 16785387
methyl 4-amino-2-(pyridin-4-ylmethoxy)benzoate
CID 106955044
[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]methanone
CID 124613022
methyl 6-methyl-3-phenylmethoxypyridine-2-carboxylate
CID 145241727
3-[(4-methylsulfanylphenyl)methoxy]pyridine-2-carboxylic acid
CID 61380434
methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate
CID 14323673
2-(3-methoxyphenyl)-N-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]acetamide
CID 51108863
1,4-diazepan-1-yl-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]methanone;dihydrochloride
CID 122147492
3-hydroxypyridine-2-carboxylic acid;3-methoxypyridine-2-carboxylic acid;methyl 3-methoxypyridine-2-carboxylate
CID 162061282
methyl 1-oxido-3-phenylmethoxypyridin-1-ium-2-carboxylate
CID 15239991
3-[(3,5-dimethylphenyl)methoxy]pyridine-2-carboxylic acid
CID 61380273

Frequently Asked Questions

What is the IUPAC name of methyl 3-(pyridin-4-ylmethoxy)pyridine-2-carboxylate?
The IUPAC name of methyl 3-(pyridin-4-ylmethoxy)pyridine-2-carboxylate (CID 59152590) is methyl 3-(pyridin-4-ylmethoxy)pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-(pyridin-4-ylmethoxy)pyridine-2-carboxylate?
The canonical SMILES for methyl 3-(pyridin-4-ylmethoxy)pyridine-2-carboxylate is COC(=O)c1ncccc1OCc1ccncc1.
What is the InChIKey of methyl 3-(pyridin-4-ylmethoxy)pyridine-2-carboxylate?
The InChIKey is ZEJNEMFBDQYLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-17-13(16)12-11(3-2-6-15-12)18-9-10-4-7-14-8-5-10/h2-8H,9H2,1H3.
What are the key properties of methyl 3-(pyridin-4-ylmethoxy)pyridine-2-carboxylate?
methyl 3-(pyridin-4-ylmethoxy)pyridine-2-carboxylate has a molecular weight of 244.25 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(pyridin-4-ylmethoxy)pyridine-2-carboxylate is sourced from PubChem (CID 59152590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).