methyl 2,6-dimethylpyridine-3-carboxylate

C9H11NO2 — CID 14838150

IUPACmethyl 2,6-dimethylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C)nc1C
InChIInChI=1S/C9H11NO2/c1-6-4-5-8(7(2)10-6)9(11)12-3/h4-5H,1-3H3
InChIKeyCCMDYJLHJDTZOK-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.49
Rot. Bonds1

About methyl 2,6-dimethylpyridine-3-carboxylate

methyl 2,6-dimethylpyridine-3-carboxylate (PubChem CID 14838150) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is methyl 2,6-dimethylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2,6-dimethylpyridine-3-carboxylate
PubChem CID14838150
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Namemethyl 2,6-dimethylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C)nc1C
InChIInChI=1S/C9H11NO2/c1-6-4-5-8(7(2)10-6)9(11)12-3/h4-5H,1-3H3
InChIKeyCCMDYJLHJDTZOK-UHFFFAOYSA-N
XLogP1.49
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2,6-dimethylpyridine-3-carboxylate?
The IUPAC name of methyl 2,6-dimethylpyridine-3-carboxylate (CID 14838150) is methyl 2,6-dimethylpyridine-3-carboxylate.
What is the SMILES notation for methyl 2,6-dimethylpyridine-3-carboxylate?
The canonical SMILES for methyl 2,6-dimethylpyridine-3-carboxylate is COC(=O)c1ccc(C)nc1C.
What is the InChIKey of methyl 2,6-dimethylpyridine-3-carboxylate?
The InChIKey is CCMDYJLHJDTZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-6-4-5-8(7(2)10-6)9(11)12-3/h4-5H,1-3H3.
What are the key properties of methyl 2,6-dimethylpyridine-3-carboxylate?
methyl 2,6-dimethylpyridine-3-carboxylate has a molecular weight of 165.19 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,6-dimethylpyridine-3-carboxylate is sourced from PubChem (CID 14838150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).