methyl 6-(methoxymethyl)pyridine-2-carboxylate

C9H11NO3 — CID 58850086

IUPACmethyl 6-(methoxymethyl)pyridine-2-carboxylate
SMILESCOCc1cccc(C(=O)OC)n1
InChIInChI=1S/C9H11NO3/c1-12-6-7-4-3-5-8(10-7)9(11)13-2/h3-5H,6H2,1-2H3
InChIKeyBNWZJNUWGFLWQJ-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.01
Rot. Bonds3

About methyl 6-(methoxymethyl)pyridine-2-carboxylate

methyl 6-(methoxymethyl)pyridine-2-carboxylate (PubChem CID 58850086) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is methyl 6-(methoxymethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(methoxymethyl)pyridine-2-carboxylate
PubChem CID58850086
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Namemethyl 6-(methoxymethyl)pyridine-2-carboxylate
SMILESCOCc1cccc(C(=O)OC)n1
InChIInChI=1S/C9H11NO3/c1-12-6-7-4-3-5-8(10-7)9(11)13-2/h3-5H,6H2,1-2H3
InChIKeyBNWZJNUWGFLWQJ-UHFFFAOYSA-N
XLogP1.01
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-(iodomethyl)pyridine-2-carboxylate
CID 66524325
methyl 6-ethylpyridine-2-carboxylate;propane
CID 142320367
methyl 6-(2-hydroxyethyl)pyridine-2-carboxylate
CID 55267203
methyl 6-[[methylsulfanyl(sulfanyl)methoxy]methyl]pyridine-2-carboxylate
CID 175489350
1-[6-(hydroxymethyl)-2-pyridinyl]ethanone;methyl 6-acetylpyridine-2-carboxylate
CID 161351278
methyl 6-[(2-formyl-3-hydroxyphenoxy)methyl]pyridine-2-carboxylate
CID 139513796
1-methoxypropane;methyl 6-[(4-ethylphenoxy)methyl]pyridine-2-carboxylate
CID 143474444
methyl 6-(methylsulfanylmethylsulfanylmethyl)pyridine-2-carboxylate
CID 175489216
methyl 6-[(4-butylphenoxy)methyl]pyridine-2-carboxylate
CID 143472467
methyl 6-[[2-[(6-methyl-2-pyridinyl)methylamino]ethylamino]methyl]pyridine-2-carboxylate
CID 170119871
methyl 6-acetylpyridine-2-carboxylate
CID 11412711
methyl 6-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxylate
CID 59290933

Frequently Asked Questions

What is the IUPAC name of methyl 6-(methoxymethyl)pyridine-2-carboxylate?
The IUPAC name of methyl 6-(methoxymethyl)pyridine-2-carboxylate (CID 58850086) is methyl 6-(methoxymethyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(methoxymethyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-(methoxymethyl)pyridine-2-carboxylate is COCc1cccc(C(=O)OC)n1.
What is the InChIKey of methyl 6-(methoxymethyl)pyridine-2-carboxylate?
The InChIKey is BNWZJNUWGFLWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-12-6-7-4-3-5-8(10-7)9(11)13-2/h3-5H,6H2,1-2H3.
What are the key properties of methyl 6-(methoxymethyl)pyridine-2-carboxylate?
methyl 6-(methoxymethyl)pyridine-2-carboxylate has a molecular weight of 181.19 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(methoxymethyl)pyridine-2-carboxylate is sourced from PubChem (CID 58850086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).