6-(methoxymethyl)pyridine-3-carboxylic acid;sulfur monoxide

C8H9NO4S — CID 158651359

IUPAC6-(methoxymethyl)pyridine-3-carboxylic acid;sulfur monoxide
SMILESCOCc1ccc(C(=O)O)cn1.O=S
InChIInChI=1S/C8H9NO3.OS/c1-12-5-7-3-2-6(4-9-7)8(10)11;1-2/h2-4H,5H2,1H3,(H,10,11);
InChIKeyIBPFDCCYRBRWGG-UHFFFAOYSA-N
MW215.23 g/mol
LogP0.59
Rot. Bonds3

About 6-(methoxymethyl)pyridine-3-carboxylic acid;sulfur monoxide

6-(methoxymethyl)pyridine-3-carboxylic acid;sulfur monoxide (PubChem CID 158651359) has the molecular formula C8H9NO4S and a molecular weight of 215.23 g/mol. Its IUPAC name is 6-(methoxymethyl)pyridine-3-carboxylic acid;sulfur monoxide.

Molecular Properties

Compound Name6-(methoxymethyl)pyridine-3-carboxylic acid;sulfur monoxide
PubChem CID158651359
Molecular FormulaC8H9NO4S
Molecular Weight215.23 g/mol
Exact Mass215.03
IUPAC Name6-(methoxymethyl)pyridine-3-carboxylic acid;sulfur monoxide
SMILESCOCc1ccc(C(=O)O)cn1.O=S
InChIInChI=1S/C8H9NO3.OS/c1-12-5-7-3-2-6(4-9-7)8(10)11;1-2/h2-4H,5H2,1H3,(H,10,11);
InChIKeyIBPFDCCYRBRWGG-UHFFFAOYSA-N
XLogP0.59
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(methoxymethyl)pyridine-3-carboxamide
CID 23130505
6-(aminomethyl)pyridine-3-carboxylic acid;dihydrochloride
CID 71741681
6-[(1-methylpyrazol-4-yl)oxymethyl]pyridine-3-carboxylic acid
CID 116792096
6-(pyridin-3-ylmethoxymethyl)pyridine-3-carboxylic acid
CID 83214712
6-[[4-(2-oxopropyl)phenoxy]methyl]pyridine-3-carboxylic acid
CID 115493828
6-(2-hydroxypropyl)pyridine-3-carboxylic acid
CID 68757151
6-(1-ethoxypropan-2-yloxymethyl)pyridine-3-carboxylic acid
CID 103486126
6-[(4-bromophenyl)methoxymethyl]pyridine-3-carboxylic acid
CID 82827551
6-(hydroxysulfanylmethyl)pyridine-3-carboxylic acid
CID 174194628
6-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]pyridine-3-carboxylic acid
CID 113405119
6-(2-phenylethyl)pyridine-3-carboxylic acid
CID 150942335
methyl 6-(acetyloxymethyl)pyridine-3-carboxylate
CID 10353032

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)pyridine-3-carboxylic acid;sulfur monoxide?
The IUPAC name of 6-(methoxymethyl)pyridine-3-carboxylic acid;sulfur monoxide (CID 158651359) is 6-(methoxymethyl)pyridine-3-carboxylic acid;sulfur monoxide.
What is the SMILES notation for 6-(methoxymethyl)pyridine-3-carboxylic acid;sulfur monoxide?
The canonical SMILES for 6-(methoxymethyl)pyridine-3-carboxylic acid;sulfur monoxide is COCc1ccc(C(=O)O)cn1.O=S.
What is the InChIKey of 6-(methoxymethyl)pyridine-3-carboxylic acid;sulfur monoxide?
The InChIKey is IBPFDCCYRBRWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3.OS/c1-12-5-7-3-2-6(4-9-7)8(10)11;1-2/h2-4H,5H2,1H3,(H,10,11);.
What are the key properties of 6-(methoxymethyl)pyridine-3-carboxylic acid;sulfur monoxide?
6-(methoxymethyl)pyridine-3-carboxylic acid;sulfur monoxide has a molecular weight of 215.23 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)pyridine-3-carboxylic acid;sulfur monoxide is sourced from PubChem (CID 158651359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).