6-(1-ethoxypropan-2-yloxymethyl)pyridine-3-carboxylic acid

C12H17NO4 — CID 103486126

IUPAC6-(1-ethoxypropan-2-yloxymethyl)pyridine-3-carboxylic acid
SMILESCCOCC(C)OCc1ccc(C(=O)O)cn1
InChIInChI=1S/C12H17NO4/c1-3-16-7-9(2)17-8-11-5-4-10(6-13-11)12(14)15/h4-6,9H,3,7-8H2,1-2H3,(H,14,15)
InChIKeyVDZULLJSFYWSRN-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.72
Rot. Bonds7

About 6-(1-ethoxypropan-2-yloxymethyl)pyridine-3-carboxylic acid

6-(1-ethoxypropan-2-yloxymethyl)pyridine-3-carboxylic acid (PubChem CID 103486126) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 6-(1-ethoxypropan-2-yloxymethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(1-ethoxypropan-2-yloxymethyl)pyridine-3-carboxylic acid
PubChem CID103486126
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name6-(1-ethoxypropan-2-yloxymethyl)pyridine-3-carboxylic acid
SMILESCCOCC(C)OCc1ccc(C(=O)O)cn1
InChIInChI=1S/C12H17NO4/c1-3-16-7-9(2)17-8-11-5-4-10(6-13-11)12(14)15/h4-6,9H,3,7-8H2,1-2H3,(H,14,15)
InChIKeyVDZULLJSFYWSRN-UHFFFAOYSA-N
XLogP1.72
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(methoxymethyl)pyridine-3-carboxylic acid;sulfur monoxide
CID 158651359
ethyl 2-[[6-(ethoxymethyl)pyridine-3-carbonyl]amino]acetate
CID 139614932
6-[[2-ethoxyethyl(methyl)amino]methyl]pyridine-3-carboxylic acid
CID 81057242
1-ethoxypropan-2-yl 6-aminopyridine-3-carboxylate
CID 103489205
6-(2-hydroxypropyl)pyridine-3-carboxylic acid
CID 68757151
6-[(4-bromophenyl)methoxymethyl]pyridine-3-carboxylic acid
CID 82827551
2-chloro-6-(1-ethoxypropan-2-yloxymethyl)pyridine
CID 103487963
6-(pyridin-3-ylmethoxymethyl)pyridine-3-carboxylic acid
CID 83214712
3-bromo-4-(1-ethoxypropan-2-yloxy)benzoic acid
CID 103490829
nonan-5-yl 2-[[6-(ethoxymethyl)pyridine-3-carbonyl]amino]acetate
CID 139614948
6-(aminomethyl)pyridine-3-carboxylic acid;dihydrochloride
CID 71741681
1-ethoxypropan-2-ol;pyridine-3-carboxylic acid
CID 158241647

Frequently Asked Questions

What is the IUPAC name of 6-(1-ethoxypropan-2-yloxymethyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(1-ethoxypropan-2-yloxymethyl)pyridine-3-carboxylic acid (CID 103486126) is 6-(1-ethoxypropan-2-yloxymethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(1-ethoxypropan-2-yloxymethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(1-ethoxypropan-2-yloxymethyl)pyridine-3-carboxylic acid is CCOCC(C)OCc1ccc(C(=O)O)cn1.
What is the InChIKey of 6-(1-ethoxypropan-2-yloxymethyl)pyridine-3-carboxylic acid?
The InChIKey is VDZULLJSFYWSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-3-16-7-9(2)17-8-11-5-4-10(6-13-11)12(14)15/h4-6,9H,3,7-8H2,1-2H3,(H,14,15).
What are the key properties of 6-(1-ethoxypropan-2-yloxymethyl)pyridine-3-carboxylic acid?
6-(1-ethoxypropan-2-yloxymethyl)pyridine-3-carboxylic acid has a molecular weight of 239.27 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethoxypropan-2-yloxymethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 103486126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).