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

C12H11NO4 — CID 83214184

IUPAC2-(pyridin-3-ylmethoxymethyl)furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1COCc1cccnc1
InChIInChI=1S/C12H11NO4/c14-12(15)10-3-5-17-11(10)8-16-7-9-2-1-4-13-6-9/h1-6H,7-8H2,(H,14,15)
InChIKeyXVMNYQDHXXMWFH-UHFFFAOYSA-N
MW233.22 g/mol
LogP2.09
Rot. Bonds5

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

2-(pyridin-3-ylmethoxymethyl)furan-3-carboxylic acid (PubChem CID 83214184) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is 2-(pyridin-3-ylmethoxymethyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name2-(pyridin-3-ylmethoxymethyl)furan-3-carboxylic acid
PubChem CID83214184
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name2-(pyridin-3-ylmethoxymethyl)furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1COCc1cccnc1
InChIInChI=1S/C12H11NO4/c14-12(15)10-3-5-17-11(10)8-16-7-9-2-1-4-13-6-9/h1-6H,7-8H2,(H,14,15)
InChIKeyXVMNYQDHXXMWFH-UHFFFAOYSA-N
XLogP2.09
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(pyridin-3-ylmethoxymethyl)thiophene-2-carboxylic acid
CID 83213729
6-(pyridin-3-ylmethoxymethyl)pyridine-3-carboxylic acid
CID 83214712
2-nitro-6-(pyridin-3-ylmethoxymethyl)benzoic acid
CID 104825177
3,3-dimethyl-1-(pyridin-3-ylmethoxy)butan-2-one
CID 129255792
2-(benzylsulfonylmethyl)furan-3-carboxylic acid
CID 43477672
propan-2-yl 2-(pyridin-3-ylmethoxy)acetate
CID 83214187
2-[[4-[(Z)-2-pyrazin-2-ylprop-1-enyl]phenoxy]methyl]furan-3-carboxylic acid
CID 146127562
3-fluoro-2-(phenylmethoxymethyl)furan
CID 23656002
1-methyl-5-(pyridin-3-ylmethyl)pyrazole-4-carboxylic acid
CID 166202894
4-[2-oxo-2-(pyridin-3-ylmethoxy)ethyl]benzoic acid
CID 121004909
pyridin-3-ylmethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 70795923
CID 66868100
CID 66868100

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-3-ylmethoxymethyl)furan-3-carboxylic acid?
The IUPAC name of 2-(pyridin-3-ylmethoxymethyl)furan-3-carboxylic acid (CID 83214184) is 2-(pyridin-3-ylmethoxymethyl)furan-3-carboxylic acid.
What is the SMILES notation for 2-(pyridin-3-ylmethoxymethyl)furan-3-carboxylic acid?
The canonical SMILES for 2-(pyridin-3-ylmethoxymethyl)furan-3-carboxylic acid is O=C(O)c1ccoc1COCc1cccnc1.
What is the InChIKey of 2-(pyridin-3-ylmethoxymethyl)furan-3-carboxylic acid?
The InChIKey is XVMNYQDHXXMWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c14-12(15)10-3-5-17-11(10)8-16-7-9-2-1-4-13-6-9/h1-6H,7-8H2,(H,14,15).
What are the key properties of 2-(pyridin-3-ylmethoxymethyl)furan-3-carboxylic acid?
2-(pyridin-3-ylmethoxymethyl)furan-3-carboxylic acid has a molecular weight of 233.22 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-3-ylmethoxymethyl)furan-3-carboxylic acid is sourced from PubChem (CID 83214184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).