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

C12H11NO3S — CID 83213729

IUPAC5-(pyridin-3-ylmethoxymethyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(COCc2cccnc2)s1
InChIInChI=1S/C12H11NO3S/c14-12(15)11-4-3-10(17-11)8-16-7-9-2-1-5-13-6-9/h1-6H,7-8H2,(H,14,15)
InChIKeyOJQCPNPKFRUCGA-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.56
Rot. Bonds5

About 5-(pyridin-3-ylmethoxymethyl)thiophene-2-carboxylic acid

5-(pyridin-3-ylmethoxymethyl)thiophene-2-carboxylic acid (PubChem CID 83213729) has the molecular formula C12H11NO3S and a molecular weight of 249.29 g/mol. Its IUPAC name is 5-(pyridin-3-ylmethoxymethyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(pyridin-3-ylmethoxymethyl)thiophene-2-carboxylic acid
PubChem CID83213729
Molecular FormulaC12H11NO3S
Molecular Weight249.29 g/mol
Exact Mass249.05
IUPAC Name5-(pyridin-3-ylmethoxymethyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(COCc2cccnc2)s1
InChIInChI=1S/C12H11NO3S/c14-12(15)11-4-3-10(17-11)8-16-7-9-2-1-5-13-6-9/h1-6H,7-8H2,(H,14,15)
InChIKeyOJQCPNPKFRUCGA-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

2-(pyridin-3-ylmethoxymethyl)furan-3-carboxylic acid
CID 83214184
6-(pyridin-3-ylmethoxymethyl)pyridine-3-carboxylic acid
CID 83214712
trimethyl(pyridin-3-ylmethoxy)silane
CID 11063032
5-[[3-(hydroxymethyl)phenoxy]methyl]thiophene-2-carboxylic acid
CID 55183087
2-nitro-6-(pyridin-3-ylmethoxymethyl)benzoic acid
CID 104825177
3,3-dimethyl-1-(pyridin-3-ylmethoxy)butan-2-one
CID 129255792
5-[(2-nitro-3-pyridinyl)oxymethyl]thiophene-2-carboxylic acid
CID 63380396
propan-2-yl 2-(pyridin-3-ylmethoxy)acetate
CID 83214187
methyl 2-[[[dimethyl(pyridin-3-ylmethoxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxyacetate
CID 91700235
4-[2-oxo-2-(pyridin-3-ylmethoxy)ethyl]benzoic acid
CID 121004909
5-[(3-fluorophenoxy)methyl]thiophene-2-carboxylic acid
CID 63380111
(2-methyl-1,3-thiazol-4-yl)-[2-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 131690678

Frequently Asked Questions

What is the IUPAC name of 5-(pyridin-3-ylmethoxymethyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(pyridin-3-ylmethoxymethyl)thiophene-2-carboxylic acid (CID 83213729) is 5-(pyridin-3-ylmethoxymethyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(pyridin-3-ylmethoxymethyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(pyridin-3-ylmethoxymethyl)thiophene-2-carboxylic acid is O=C(O)c1ccc(COCc2cccnc2)s1.
What is the InChIKey of 5-(pyridin-3-ylmethoxymethyl)thiophene-2-carboxylic acid?
The InChIKey is OJQCPNPKFRUCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S/c14-12(15)11-4-3-10(17-11)8-16-7-9-2-1-5-13-6-9/h1-6H,7-8H2,(H,14,15).
What are the key properties of 5-(pyridin-3-ylmethoxymethyl)thiophene-2-carboxylic acid?
5-(pyridin-3-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 5-(pyridin-3-ylmethoxymethyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 83213729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).