2-(pyridin-2-ylmethoxymethyl)-1-benzofuran-3-carboxylic acid

C16H13NO4 — CID 83209336

IUPAC2-(pyridin-2-ylmethoxymethyl)-1-benzofuran-3-carboxylic acid
SMILESO=C(O)c1c(COCc2ccccn2)oc2ccccc12
InChIInChI=1S/C16H13NO4/c18-16(19)15-12-6-1-2-7-13(12)21-14(15)10-20-9-11-5-3-4-8-17-11/h1-8H,9-10H2,(H,18,19)
InChIKeyBDMDOVMIFXFJCG-UHFFFAOYSA-N
MW283.28 g/mol
LogP3.24
Rot. Bonds5

About 2-(pyridin-2-ylmethoxymethyl)-1-benzofuran-3-carboxylic acid

2-(pyridin-2-ylmethoxymethyl)-1-benzofuran-3-carboxylic acid (PubChem CID 83209336) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is 2-(pyridin-2-ylmethoxymethyl)-1-benzofuran-3-carboxylic acid.

Molecular Properties

Compound Name2-(pyridin-2-ylmethoxymethyl)-1-benzofuran-3-carboxylic acid
PubChem CID83209336
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name2-(pyridin-2-ylmethoxymethyl)-1-benzofuran-3-carboxylic acid
SMILESO=C(O)c1c(COCc2ccccn2)oc2ccccc12
InChIInChI=1S/C16H13NO4/c18-16(19)15-12-6-1-2-7-13(12)21-14(15)10-20-9-11-5-3-4-8-17-11/h1-8H,9-10H2,(H,18,19)
InChIKeyBDMDOVMIFXFJCG-UHFFFAOYSA-N
XLogP3.24
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-propoxyethoxymethyl)-1-benzofuran-3-carboxylic acid
CID 63686877
2-(2-propan-2-yloxyethoxymethyl)-1-benzofuran-3-carboxylic acid
CID 62273945
4-(pyridin-2-ylmethoxymethyl)benzoic acid
CID 83213493
4-hydroxy-2-oxochromene-3-carboxylic acid;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 174160334
2-(benzenesulfinylmethyl)-1-benzofuran-3-carboxylic acid
CID 62274634
2-[(cyclopropylmethylamino)methyl]-1-benzofuran-3-carboxylic acid
CID 103231163
2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]-1-benzofuran-3-carboxylic acid
CID 106215284
3-(pyridin-2-ylmethoxymethyl)thiophene-2-carboxylic acid
CID 83214023
1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea
CID 86960076
2-(propan-2-ylsulfonylmethyl)-1-benzofuran-3-carboxylic acid
CID 55054104
2-[(pyridin-3-ylmethylamino)methyl]-1-benzofuran-3-carboxylic acid
CID 103236288
5-(pyridin-2-ylmethoxy)pentanoic acid
CID 83213720

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-2-ylmethoxymethyl)-1-benzofuran-3-carboxylic acid?
The IUPAC name of 2-(pyridin-2-ylmethoxymethyl)-1-benzofuran-3-carboxylic acid (CID 83209336) is 2-(pyridin-2-ylmethoxymethyl)-1-benzofuran-3-carboxylic acid.
What is the SMILES notation for 2-(pyridin-2-ylmethoxymethyl)-1-benzofuran-3-carboxylic acid?
The canonical SMILES for 2-(pyridin-2-ylmethoxymethyl)-1-benzofuran-3-carboxylic acid is O=C(O)c1c(COCc2ccccn2)oc2ccccc12.
What is the InChIKey of 2-(pyridin-2-ylmethoxymethyl)-1-benzofuran-3-carboxylic acid?
The InChIKey is BDMDOVMIFXFJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c18-16(19)15-12-6-1-2-7-13(12)21-14(15)10-20-9-11-5-3-4-8-17-11/h1-8H,9-10H2,(H,18,19).
What are the key properties of 2-(pyridin-2-ylmethoxymethyl)-1-benzofuran-3-carboxylic acid?
2-(pyridin-2-ylmethoxymethyl)-1-benzofuran-3-carboxylic acid has a molecular weight of 283.28 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-2-ylmethoxymethyl)-1-benzofuran-3-carboxylic acid is sourced from PubChem (CID 83209336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).