3-methoxy-5-methoxycarbonylpyridine-2-carboxylic acid

C9H9NO5 — CID 22923874

IUPAC3-methoxy-5-methoxycarbonylpyridine-2-carboxylic acid
SMILESCOC(=O)c1cnc(C(=O)O)c(OC)c1
InChIInChI=1S/C9H9NO5/c1-14-6-3-5(9(13)15-2)4-10-7(6)8(11)12/h3-4H,1-2H3,(H,11,12)
InChIKeyLWVCEWMBZHCHJD-UHFFFAOYSA-N
MW211.17 g/mol
LogP0.57
Rot. Bonds3

About 3-methoxy-5-methoxycarbonylpyridine-2-carboxylic acid

3-methoxy-5-methoxycarbonylpyridine-2-carboxylic acid (PubChem CID 22923874) has the molecular formula C9H9NO5 and a molecular weight of 211.17 g/mol. Its IUPAC name is 3-methoxy-5-methoxycarbonylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-methoxy-5-methoxycarbonylpyridine-2-carboxylic acid
PubChem CID22923874
Molecular FormulaC9H9NO5
Molecular Weight211.17 g/mol
Exact Mass211.05
IUPAC Name3-methoxy-5-methoxycarbonylpyridine-2-carboxylic acid
SMILESCOC(=O)c1cnc(C(=O)O)c(OC)c1
InChIInChI=1S/C9H9NO5/c1-14-6-3-5(9(13)15-2)4-10-7(6)8(11)12/h3-4H,1-2H3,(H,11,12)
InChIKeyLWVCEWMBZHCHJD-UHFFFAOYSA-N
XLogP0.57
TPSA85.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethoxycarbonyl-3-methoxypyridine-2-carboxylic acid
CID 22923766
3-methoxy-5-propoxycarbonylpyridine-2-carboxylic acid
CID 22923898
3-methoxy-5-pentan-3-yloxycarbonylpyridine-2-carboxylic acid
CID 67716166
5-isocyano-3-methoxypyridine-2-carboxylic acid
CID 123528832
2-amino-5-methoxycarbonylpyridine-3-carboxylic acid
CID 130066862
4-methoxy-6-methoxycarbonyl-1H-indazole-3-carboxylic acid
CID 24728191
dimethyl 3-(2-methylpropoxy)pyridine-2,5-dicarboxylate
CID 22923882
5,6-dimethoxypyridine-3-carboxylic acid
CID 12563086
6-methoxycarbonyl-5-(2-methylpropoxy)pyridine-3-carboxylic acid
CID 19960366
methyl 7,8-dimethoxyquinoline-3-carboxylate
CID 166736815
5-ethoxycarbonyl-3-propoxypyridine-2-carboxylic acid
CID 22923831
methyl 3-methoxy-5-(trifluoromethyl)pyridine-2-carboxylate
CID 121231628

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-methoxycarbonylpyridine-2-carboxylic acid?
The IUPAC name of 3-methoxy-5-methoxycarbonylpyridine-2-carboxylic acid (CID 22923874) is 3-methoxy-5-methoxycarbonylpyridine-2-carboxylic acid.
What is the SMILES notation for 3-methoxy-5-methoxycarbonylpyridine-2-carboxylic acid?
The canonical SMILES for 3-methoxy-5-methoxycarbonylpyridine-2-carboxylic acid is COC(=O)c1cnc(C(=O)O)c(OC)c1.
What is the InChIKey of 3-methoxy-5-methoxycarbonylpyridine-2-carboxylic acid?
The InChIKey is LWVCEWMBZHCHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO5/c1-14-6-3-5(9(13)15-2)4-10-7(6)8(11)12/h3-4H,1-2H3,(H,11,12).
What are the key properties of 3-methoxy-5-methoxycarbonylpyridine-2-carboxylic acid?
3-methoxy-5-methoxycarbonylpyridine-2-carboxylic acid has a molecular weight of 211.17 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-methoxycarbonylpyridine-2-carboxylic acid is sourced from PubChem (CID 22923874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).