2-methyl-3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridine-1-carboxylic acid

C13H13NO3 — CID 84694454

IUPAC2-methyl-3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridine-1-carboxylic acid
SMILESCN1CCc2c(oc3ccccc23)C1C(=O)O
InChIInChI=1S/C13H13NO3/c1-14-7-6-9-8-4-2-3-5-10(8)17-12(9)11(14)13(15)16/h2-5,11H,6-7H2,1H3,(H,15,16)
InChIKeyDLAZLXWYFNVJJA-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.05
Rot. Bonds1

About 2-methyl-3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridine-1-carboxylic acid

2-methyl-3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridine-1-carboxylic acid (PubChem CID 84694454) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-methyl-3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridine-1-carboxylic acid
PubChem CID84694454
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name2-methyl-3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridine-1-carboxylic acid
SMILESCN1CCc2c(oc3ccccc23)C1C(=O)O
InChIInChI=1S/C13H13NO3/c1-14-7-6-9-8-4-2-3-5-10(8)17-12(9)11(14)13(15)16/h2-5,11H,6-7H2,1H3,(H,15,16)
InChIKeyDLAZLXWYFNVJJA-UHFFFAOYSA-N
XLogP2.05
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 68819704
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CID 122225312
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3-cyclobutyl-1,2,4,5-tetrahydro-[1]benzofuro[2,3-d]azepine
CID 168943688
3-(2-carboxy-1-benzofuran-3-yl)-1-benzofuran-2-carboxylic acid
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2,4-dihydro-1H-xanthene-3,9-dione
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridine-1-carboxylic acid?
The IUPAC name of 2-methyl-3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridine-1-carboxylic acid (CID 84694454) is 2-methyl-3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridine-1-carboxylic acid.
What is the SMILES notation for 2-methyl-3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridine-1-carboxylic acid?
The canonical SMILES for 2-methyl-3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridine-1-carboxylic acid is CN1CCc2c(oc3ccccc23)C1C(=O)O.
What is the InChIKey of 2-methyl-3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridine-1-carboxylic acid?
The InChIKey is DLAZLXWYFNVJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-14-7-6-9-8-4-2-3-5-10(8)17-12(9)11(14)13(15)16/h2-5,11H,6-7H2,1H3,(H,15,16).
What are the key properties of 2-methyl-3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridine-1-carboxylic acid?
2-methyl-3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridine-1-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridine-1-carboxylic acid is sourced from PubChem (CID 84694454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).