5-methoxycarbonyl-2,6-dimethylpyridine-3-carboxylic acid

C10H11NO4 — CID 68669960

IUPAC5-methoxycarbonyl-2,6-dimethylpyridine-3-carboxylic acid
SMILESCOC(=O)c1cc(C(=O)O)c(C)nc1C
InChIInChI=1S/C10H11NO4/c1-5-7(9(12)13)4-8(6(2)11-5)10(14)15-3/h4H,1-3H3,(H,12,13)
InChIKeyADMLXIMKJKINFK-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.18
Rot. Bonds2

About 5-methoxycarbonyl-2,6-dimethylpyridine-3-carboxylic acid

5-methoxycarbonyl-2,6-dimethylpyridine-3-carboxylic acid (PubChem CID 68669960) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 5-methoxycarbonyl-2,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-methoxycarbonyl-2,6-dimethylpyridine-3-carboxylic acid
PubChem CID68669960
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name5-methoxycarbonyl-2,6-dimethylpyridine-3-carboxylic acid
SMILESCOC(=O)c1cc(C(=O)O)c(C)nc1C
InChIInChI=1S/C10H11NO4/c1-5-7(9(12)13)4-8(6(2)11-5)10(14)15-3/h4H,1-3H3,(H,12,13)
InChIKeyADMLXIMKJKINFK-UHFFFAOYSA-N
XLogP1.18
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-6-phenylpyridine-3-carboxylic acid
CID 822960
Diethyl 2,6-dimethylpyridine-3,5-dicarboxylate
CID 245983
Diethyl 2,6-Dimethyl-4-Phenylpyridine-3,5-Dicarboxylate
CID 629929
2,6-Dimethylpyridine-3,5-dicarboxylic acid
CID 296010
Ethyl 4-(dicyanomethyl)-2,6-dimethylpyridine-3-carboxylate
CID 658661
3-Ethyl 5-propyl 4,6-dimethyl-2-phenylpyridine-3,5-dicarboxylate
CID 10569216
Diethyl 4-ethyl-2-methyl-6-phenylpyridine-3,5-dicarboxylate
CID 10688603
Diethyl 1,4-dihydro-2,4,6-trimethyl-3,5-pyridinedicarboxylate
CID 99572
2-Methyl-6-(trifluoromethyl)nicotinic acid
CID 2775683
2-Chloro-5,6-dimethylpyridine-3-carboxylic acid
CID 6484125
2-(2-Ethoxy-2-oxoethyl)pyridine-3-carboxylic acid
CID 2763733
6-(4-Ethylphenyl)-2-methylnicotinic acid
CID 822964

Frequently Asked Questions

What is the IUPAC name of 5-methoxycarbonyl-2,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 5-methoxycarbonyl-2,6-dimethylpyridine-3-carboxylic acid (CID 68669960) is 5-methoxycarbonyl-2,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-methoxycarbonyl-2,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 5-methoxycarbonyl-2,6-dimethylpyridine-3-carboxylic acid is COC(=O)c1cc(C(=O)O)c(C)nc1C.
What is the InChIKey of 5-methoxycarbonyl-2,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is ADMLXIMKJKINFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-5-7(9(12)13)4-8(6(2)11-5)10(14)15-3/h4H,1-3H3,(H,12,13).
What are the key properties of 5-methoxycarbonyl-2,6-dimethylpyridine-3-carboxylic acid?
5-methoxycarbonyl-2,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 209.20 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxycarbonyl-2,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 68669960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).