3-methoxy-5-pentan-3-yloxycarbonylpyridine-2-carboxylic acid

C13H17NO5 — CID 67716166

IUPAC3-methoxy-5-pentan-3-yloxycarbonylpyridine-2-carboxylic acid
SMILESCCC(CC)OC(=O)c1cnc(C(=O)O)c(OC)c1
InChIInChI=1S/C13H17NO5/c1-4-9(5-2)19-13(17)8-6-10(18-3)11(12(15)16)14-7-8/h6-7,9H,4-5H2,1-3H3,(H,15,16)
InChIKeyGLBZEOUIWIVCSY-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.13
Rot. Bonds6

About 3-methoxy-5-pentan-3-yloxycarbonylpyridine-2-carboxylic acid

3-methoxy-5-pentan-3-yloxycarbonylpyridine-2-carboxylic acid (PubChem CID 67716166) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-methoxy-5-pentan-3-yloxycarbonylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-methoxy-5-pentan-3-yloxycarbonylpyridine-2-carboxylic acid
PubChem CID67716166
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name3-methoxy-5-pentan-3-yloxycarbonylpyridine-2-carboxylic acid
SMILESCCC(CC)OC(=O)c1cnc(C(=O)O)c(OC)c1
InChIInChI=1S/C13H17NO5/c1-4-9(5-2)19-13(17)8-6-10(18-3)11(12(15)16)14-7-8/h6-7,9H,4-5H2,1-3H3,(H,15,16)
InChIKeyGLBZEOUIWIVCSY-UHFFFAOYSA-N
XLogP2.13
TPSA85.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.13
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-methoxycarbonylpyridine-2-carboxylic acid
CID 22923874
3-methoxy-5-propoxycarbonylpyridine-2-carboxylic acid
CID 22923898
5-ethoxycarbonyl-3-propoxypyridine-2-carboxylic acid
CID 22923831
5-isocyano-3-methoxypyridine-2-carboxylic acid
CID 123528832
6-ethyl-3,5-dimethoxypyridine-2-carboxylic acid
CID 90819541
pentan-3-yl 4-acetylbenzoate
CID 90396441
5,6-dimethoxypyridine-3-carboxylic acid
CID 12563086
6-methoxycarbonyl-5-(2-methylpropoxy)pyridine-3-carboxylic acid
CID 19960366
5-ethoxycarbonyl-3-[[4-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carboxylic acid
CID 22923875
dimethyl 3-(2-methylpropoxy)pyridine-2,5-dicarboxylate
CID 22923882
heptyl 5-methoxy-6-[(2-octoxy-2-oxoethyl)carbamoyl]pyridine-3-carboxylate
CID 54061155

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-pentan-3-yloxycarbonylpyridine-2-carboxylic acid?
The IUPAC name of 3-methoxy-5-pentan-3-yloxycarbonylpyridine-2-carboxylic acid (CID 67716166) is 3-methoxy-5-pentan-3-yloxycarbonylpyridine-2-carboxylic acid.
What is the SMILES notation for 3-methoxy-5-pentan-3-yloxycarbonylpyridine-2-carboxylic acid?
The canonical SMILES for 3-methoxy-5-pentan-3-yloxycarbonylpyridine-2-carboxylic acid is CCC(CC)OC(=O)c1cnc(C(=O)O)c(OC)c1.
What is the InChIKey of 3-methoxy-5-pentan-3-yloxycarbonylpyridine-2-carboxylic acid?
The InChIKey is GLBZEOUIWIVCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-4-9(5-2)19-13(17)8-6-10(18-3)11(12(15)16)14-7-8/h6-7,9H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 3-methoxy-5-pentan-3-yloxycarbonylpyridine-2-carboxylic acid?
3-methoxy-5-pentan-3-yloxycarbonylpyridine-2-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-pentan-3-yloxycarbonylpyridine-2-carboxylic acid is sourced from PubChem (CID 67716166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).