6-(oxan-4-yloxymethyl)pyridine-2-carboxylic acid

C12H15NO4 — CID 106903338

IUPAC6-(oxan-4-yloxymethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(COC2CCOCC2)n1
InChIInChI=1S/C12H15NO4/c14-12(15)11-3-1-2-9(13-11)8-17-10-4-6-16-7-5-10/h1-3,10H,4-8H2,(H,14,15)
InChIKeyYOICHYOZHYDPCC-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.48
Rot. Bonds4

About 6-(oxan-4-yloxymethyl)pyridine-2-carboxylic acid

6-(oxan-4-yloxymethyl)pyridine-2-carboxylic acid (PubChem CID 106903338) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 6-(oxan-4-yloxymethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(oxan-4-yloxymethyl)pyridine-2-carboxylic acid
PubChem CID106903338
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name6-(oxan-4-yloxymethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(COC2CCOCC2)n1
InChIInChI=1S/C12H15NO4/c14-12(15)11-3-1-2-9(13-11)8-17-10-4-6-16-7-5-10/h1-3,10H,4-8H2,(H,14,15)
InChIKeyYOICHYOZHYDPCC-UHFFFAOYSA-N
XLogP1.48
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-(oxan-4-yloxymethyl)pyridine
CID 79243769
6-[(2-methylcyclohexyl)oxymethyl]pyridine-2-carboxylic acid
CID 106903256
6-[[ethyl(oxan-4-yl)amino]methyl]pyridine-2-carboxylic acid
CID 74234981
N-[6-(oxolan-3-yloxymethyl)-2-pyridinyl]acetamide
CID 154658060
6-(oxan-4-ylmethoxy)pyridine-2-carboxylic acid
CID 55066392
N-[[6-(oxan-4-yloxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106907547
2-[2-(oxan-4-yloxymethyl)phenyl]acetic acid
CID 113314325
2-bromo-6-[[(3R)-oxolan-3-yl]oxymethyl]pyridine
CID 154377158
6-[[16-[[6-[[16-[(6-carboxy-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]-2-pyridinyl]methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylic acid
CID 164597861
6-(phenoxymethyl)pyridine-2-carboxylic acid
CID 54566453
6-[(2,6-dibromophenoxy)methyl]pyridine-2-carboxylic acid
CID 106903241
6-(heptoxymethyl)pyridine-2-carboxylic acid
CID 106903282

Frequently Asked Questions

What is the IUPAC name of 6-(oxan-4-yloxymethyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(oxan-4-yloxymethyl)pyridine-2-carboxylic acid (CID 106903338) is 6-(oxan-4-yloxymethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(oxan-4-yloxymethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(oxan-4-yloxymethyl)pyridine-2-carboxylic acid is O=C(O)c1cccc(COC2CCOCC2)n1.
What is the InChIKey of 6-(oxan-4-yloxymethyl)pyridine-2-carboxylic acid?
The InChIKey is YOICHYOZHYDPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c14-12(15)11-3-1-2-9(13-11)8-17-10-4-6-16-7-5-10/h1-3,10H,4-8H2,(H,14,15).
What are the key properties of 6-(oxan-4-yloxymethyl)pyridine-2-carboxylic acid?
6-(oxan-4-yloxymethyl)pyridine-2-carboxylic acid has a molecular weight of 237.25 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxan-4-yloxymethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 106903338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).