3-(pyridin-2-ylmethoxymethyl)thiophene-2-carboxylic acid

C12H11NO3S — CID 83214023

IUPAC3-(pyridin-2-ylmethoxymethyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1COCc1ccccn1
InChIInChI=1S/C12H11NO3S/c14-12(15)11-9(4-6-17-11)7-16-8-10-3-1-2-5-13-10/h1-6H,7-8H2,(H,14,15)
InChIKeyPPCGORXJOHTSIK-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.56
Rot. Bonds5

About 3-(pyridin-2-ylmethoxymethyl)thiophene-2-carboxylic acid

3-(pyridin-2-ylmethoxymethyl)thiophene-2-carboxylic acid (PubChem CID 83214023) has the molecular formula C12H11NO3S and a molecular weight of 249.29 g/mol. Its IUPAC name is 3-(pyridin-2-ylmethoxymethyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(pyridin-2-ylmethoxymethyl)thiophene-2-carboxylic acid
PubChem CID83214023
Molecular FormulaC12H11NO3S
Molecular Weight249.29 g/mol
Exact Mass249.05
IUPAC Name3-(pyridin-2-ylmethoxymethyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1COCc1ccccn1
InChIInChI=1S/C12H11NO3S/c14-12(15)11-9(4-6-17-11)7-16-8-10-3-1-2-5-13-10/h1-6H,7-8H2,(H,14,15)
InChIKeyPPCGORXJOHTSIK-UHFFFAOYSA-N
XLogP2.56
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(pyridin-2-ylmethoxymethyl)benzoic acid
CID 83213493
1-(3-methoxythiophen-2-yl)-2-pyridin-2-ylethanone
CID 81122055
3-(2-ethoxyethoxymethyl)thiophene-2-carboxylic acid
CID 63641034
5-(pyridin-2-ylmethoxy)pentanoic acid
CID 83213720
methyl 6-(pyridin-2-ylmethoxymethyl)pyridine-3-carboxylate
CID 83214326
3-(2-phenylethyl)thiophene-2-carboxylic acid
CID 12703606
2-(pyridin-2-ylmethoxymethyl)-1-benzofuran-3-carboxylic acid
CID 83209336
3-(2-pyridin-2-ylethoxymethyl)furan-2-carboxylic acid
CID 43153171
2-amino-3-(pyridin-2-ylmethoxy)propanamide
CID 83213494
pyridin-2-ylmethyl 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 43021631
3-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63640901
3-[(pyridazin-3-ylmethylamino)methyl]thiophene-2-carboxylic acid
CID 106896733

Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-2-ylmethoxymethyl)thiophene-2-carboxylic acid?
The IUPAC name of 3-(pyridin-2-ylmethoxymethyl)thiophene-2-carboxylic acid (CID 83214023) is 3-(pyridin-2-ylmethoxymethyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-(pyridin-2-ylmethoxymethyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-(pyridin-2-ylmethoxymethyl)thiophene-2-carboxylic acid is O=C(O)c1sccc1COCc1ccccn1.
What is the InChIKey of 3-(pyridin-2-ylmethoxymethyl)thiophene-2-carboxylic acid?
The InChIKey is PPCGORXJOHTSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S/c14-12(15)11-9(4-6-17-11)7-16-8-10-3-1-2-5-13-10/h1-6H,7-8H2,(H,14,15).
What are the key properties of 3-(pyridin-2-ylmethoxymethyl)thiophene-2-carboxylic acid?
3-(pyridin-2-ylmethoxymethyl)thiophene-2-carboxylic acid has a molecular weight of 249.29 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-2-ylmethoxymethyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 83214023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).