methyl 4-methoxy-5,6-dimethylpyridine-3-carboxylate

C10H13NO3 — CID 55253238

IUPACmethyl 4-methoxy-5,6-dimethylpyridine-3-carboxylate
SMILESCOC(=O)c1cnc(C)c(C)c1OC
InChIInChI=1S/C10H13NO3/c1-6-7(2)11-5-8(9(6)13-3)10(12)14-4/h5H,1-4H3
InChIKeyGGJHECRMGSQBBV-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.49
Rot. Bonds2

About methyl 4-methoxy-5,6-dimethylpyridine-3-carboxylate

methyl 4-methoxy-5,6-dimethylpyridine-3-carboxylate (PubChem CID 55253238) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is methyl 4-methoxy-5,6-dimethylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-methoxy-5,6-dimethylpyridine-3-carboxylate
PubChem CID55253238
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Namemethyl 4-methoxy-5,6-dimethylpyridine-3-carboxylate
SMILESCOC(=O)c1cnc(C)c(C)c1OC
InChIInChI=1S/C10H13NO3/c1-6-7(2)11-5-8(9(6)13-3)10(12)14-4/h5H,1-4H3
InChIKeyGGJHECRMGSQBBV-UHFFFAOYSA-N
XLogP1.49
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-5,6-dimethylpyridine-3-carboxylate?
The IUPAC name of methyl 4-methoxy-5,6-dimethylpyridine-3-carboxylate (CID 55253238) is methyl 4-methoxy-5,6-dimethylpyridine-3-carboxylate.
What is the SMILES notation for methyl 4-methoxy-5,6-dimethylpyridine-3-carboxylate?
The canonical SMILES for methyl 4-methoxy-5,6-dimethylpyridine-3-carboxylate is COC(=O)c1cnc(C)c(C)c1OC.
What is the InChIKey of methyl 4-methoxy-5,6-dimethylpyridine-3-carboxylate?
The InChIKey is GGJHECRMGSQBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-6-7(2)11-5-8(9(6)13-3)10(12)14-4/h5H,1-4H3.
What are the key properties of methyl 4-methoxy-5,6-dimethylpyridine-3-carboxylate?
methyl 4-methoxy-5,6-dimethylpyridine-3-carboxylate has a molecular weight of 195.22 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-5,6-dimethylpyridine-3-carboxylate is sourced from PubChem (CID 55253238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).