methyl 3-carboxyoxy-6-methylpyridine-2-carboxylate

C9H9NO5 — CID 67797440

IUPACmethyl 3-carboxyoxy-6-methylpyridine-2-carboxylate
SMILESCOC(=O)c1nc(C)ccc1OC(=O)O
InChIInChI=1S/C9H9NO5/c1-5-3-4-6(15-9(12)13)7(10-5)8(11)14-2/h3-4H,1-2H3,(H,12,13)
InChIKeyBLKOJZKKMMDYNL-UHFFFAOYSA-N
MW211.17 g/mol
LogP1.23
Rot. Bonds2

About methyl 3-carboxyoxy-6-methylpyridine-2-carboxylate

methyl 3-carboxyoxy-6-methylpyridine-2-carboxylate (PubChem CID 67797440) has the molecular formula C9H9NO5 and a molecular weight of 211.17 g/mol. Its IUPAC name is methyl 3-carboxyoxy-6-methylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-carboxyoxy-6-methylpyridine-2-carboxylate
PubChem CID67797440
Molecular FormulaC9H9NO5
Molecular Weight211.17 g/mol
Exact Mass211.05
IUPAC Namemethyl 3-carboxyoxy-6-methylpyridine-2-carboxylate
SMILESCOC(=O)c1nc(C)ccc1OC(=O)O
InChIInChI=1S/C9H9NO5/c1-5-3-4-6(15-9(12)13)7(10-5)8(11)14-2/h3-4H,1-2H3,(H,12,13)
InChIKeyBLKOJZKKMMDYNL-UHFFFAOYSA-N
XLogP1.23
TPSA85.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-methyl-3-phenylmethoxypyridine-2-carboxylate
CID 145241727
methyl 6-methyl-3-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxylate
CID 172732856
methyl 3-[(2-chloro-4-pyridinyl)oxy]-6-methylpyridine-2-carboxylate
CID 72942082
ethane;methyl 3-cyano-6-methylpyridine-2-carboxylate
CID 142574365
3-(3-methoxypropoxy)-6-methylpyridine-2-carboxylic acid
CID 79158863
methyl 3-(cyanomethyl)-6-methylpyridine-2-carboxylate
CID 156518639
3-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-2-carboxylic acid
CID 79157238
3-methoxycarbonyl-6-methylpyrazine-2-carboxylic acid
CID 18668118
methyl 6-methyl-3-(1,3-thiazol-2-yl)pyridine-2-carboxylate
CID 59363657
methyl 6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrazine-2-carboxylate
CID 103174503
methyl 3-chloro-4-methoxy-6-methylpyridine-2-carboxylate
CID 142574242
3-heptoxy-6-methylpyridine-2-carboxylic acid
CID 79156653

Frequently Asked Questions

What is the IUPAC name of methyl 3-carboxyoxy-6-methylpyridine-2-carboxylate?
The IUPAC name of methyl 3-carboxyoxy-6-methylpyridine-2-carboxylate (CID 67797440) is methyl 3-carboxyoxy-6-methylpyridine-2-carboxylate.
What is the SMILES notation for methyl 3-carboxyoxy-6-methylpyridine-2-carboxylate?
The canonical SMILES for methyl 3-carboxyoxy-6-methylpyridine-2-carboxylate is COC(=O)c1nc(C)ccc1OC(=O)O.
What is the InChIKey of methyl 3-carboxyoxy-6-methylpyridine-2-carboxylate?
The InChIKey is BLKOJZKKMMDYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO5/c1-5-3-4-6(15-9(12)13)7(10-5)8(11)14-2/h3-4H,1-2H3,(H,12,13).
What are the key properties of methyl 3-carboxyoxy-6-methylpyridine-2-carboxylate?
methyl 3-carboxyoxy-6-methylpyridine-2-carboxylate has a molecular weight of 211.17 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-carboxyoxy-6-methylpyridine-2-carboxylate is sourced from PubChem (CID 67797440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).