5-(2-cyclopropylethoxy)-4-methoxypyridine-2-carboxylic acid

C12H15NO4 — CID 138674847

IUPAC5-(2-cyclopropylethoxy)-4-methoxypyridine-2-carboxylic acid
SMILESCOc1cc(C(=O)O)ncc1OCCC1CC1
InChIInChI=1S/C12H15NO4/c1-16-10-6-9(12(14)15)13-7-11(10)17-5-4-8-2-3-8/h6-8H,2-5H2,1H3,(H,14,15)
InChIKeyNQIJZXLCZRJBKL-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.97
Rot. Bonds6

About 5-(2-cyclopropylethoxy)-4-methoxypyridine-2-carboxylic acid

5-(2-cyclopropylethoxy)-4-methoxypyridine-2-carboxylic acid (PubChem CID 138674847) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 5-(2-cyclopropylethoxy)-4-methoxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-cyclopropylethoxy)-4-methoxypyridine-2-carboxylic acid
PubChem CID138674847
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name5-(2-cyclopropylethoxy)-4-methoxypyridine-2-carboxylic acid
SMILESCOc1cc(C(=O)O)ncc1OCCC1CC1
InChIInChI=1S/C12H15NO4/c1-16-10-6-9(12(14)15)13-7-11(10)17-5-4-8-2-3-8/h6-8H,2-5H2,1H3,(H,14,15)
InChIKeyNQIJZXLCZRJBKL-UHFFFAOYSA-N
XLogP1.97
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 67026980
CID 67026980
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CID 167157914
4-methoxy-3-[2-(3-methylcyclohexyl)ethoxy]benzoic acid
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5-ethoxy-N-hydroxy-4-methoxypyridine-2-carboxamide
CID 175442250
4-(2-cyclobutylethoxy)quinoline-2-carboxylic acid
CID 106200390
5-(2-iodoethoxy)-4-methylpyridine-2-carboxylic acid
CID 138702956
[2-(2-cyclopropylethoxy)-5-methoxyphenyl]boronic acid
CID 104706134
3-(2-cyclopropylethoxy)-2-methylbenzoic acid
CID 82827361
3-[2-(2-cyclopropylethoxy)-4-methoxyphenyl]prop-2-enoic acid
CID 77073969
tert-butyl 5-[2-(4-amino-2-methoxyphenoxy)ethyl]azocane-1-carboxylate
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3-bromo-4-(2-cyclobutylethoxy)benzoic acid
CID 106206434

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropylethoxy)-4-methoxypyridine-2-carboxylic acid?
The IUPAC name of 5-(2-cyclopropylethoxy)-4-methoxypyridine-2-carboxylic acid (CID 138674847) is 5-(2-cyclopropylethoxy)-4-methoxypyridine-2-carboxylic acid.
What is the SMILES notation for 5-(2-cyclopropylethoxy)-4-methoxypyridine-2-carboxylic acid?
The canonical SMILES for 5-(2-cyclopropylethoxy)-4-methoxypyridine-2-carboxylic acid is COc1cc(C(=O)O)ncc1OCCC1CC1.
What is the InChIKey of 5-(2-cyclopropylethoxy)-4-methoxypyridine-2-carboxylic acid?
The InChIKey is NQIJZXLCZRJBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-16-10-6-9(12(14)15)13-7-11(10)17-5-4-8-2-3-8/h6-8H,2-5H2,1H3,(H,14,15).
What are the key properties of 5-(2-cyclopropylethoxy)-4-methoxypyridine-2-carboxylic acid?
5-(2-cyclopropylethoxy)-4-methoxypyridine-2-carboxylic acid has a molecular weight of 237.25 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropylethoxy)-4-methoxypyridine-2-carboxylic acid is sourced from PubChem (CID 138674847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).