2-(2-methylpropyl)-5,7-dihydrofuro[3,4-b]pyridine-4-carboxylic acid

C12H15NO3 — CID 96607376

IUPAC2-(2-methylpropyl)-5,7-dihydrofuro[3,4-b]pyridine-4-carboxylic acid
SMILESCC(C)Cc1cc(C(=O)O)c2c(n1)COC2
InChIInChI=1S/C12H15NO3/c1-7(2)3-8-4-9(12(14)15)10-5-16-6-11(10)13-8/h4,7H,3,5-6H2,1-2H3,(H,14,15)
InChIKeyYZWBKDQRKZUXJF-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.01
Rot. Bonds3

About 2-(2-methylpropyl)-5,7-dihydrofuro[3,4-b]pyridine-4-carboxylic acid

2-(2-methylpropyl)-5,7-dihydrofuro[3,4-b]pyridine-4-carboxylic acid (PubChem CID 96607376) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(2-methylpropyl)-5,7-dihydrofuro[3,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylpropyl)-5,7-dihydrofuro[3,4-b]pyridine-4-carboxylic acid
PubChem CID96607376
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-(2-methylpropyl)-5,7-dihydrofuro[3,4-b]pyridine-4-carboxylic acid
SMILESCC(C)Cc1cc(C(=O)O)c2c(n1)COC2
InChIInChI=1S/C12H15NO3/c1-7(2)3-8-4-9(12(14)15)10-5-16-6-11(10)13-8/h4,7H,3,5-6H2,1-2H3,(H,14,15)
InChIKeyYZWBKDQRKZUXJF-UHFFFAOYSA-N
XLogP2.01
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-5,7-dihydrofuro[3,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 2-(2-methylpropyl)-5,7-dihydrofuro[3,4-b]pyridine-4-carboxylic acid (CID 96607376) is 2-(2-methylpropyl)-5,7-dihydrofuro[3,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2-methylpropyl)-5,7-dihydrofuro[3,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 2-(2-methylpropyl)-5,7-dihydrofuro[3,4-b]pyridine-4-carboxylic acid is CC(C)Cc1cc(C(=O)O)c2c(n1)COC2.
What is the InChIKey of 2-(2-methylpropyl)-5,7-dihydrofuro[3,4-b]pyridine-4-carboxylic acid?
The InChIKey is YZWBKDQRKZUXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-7(2)3-8-4-9(12(14)15)10-5-16-6-11(10)13-8/h4,7H,3,5-6H2,1-2H3,(H,14,15).
What are the key properties of 2-(2-methylpropyl)-5,7-dihydrofuro[3,4-b]pyridine-4-carboxylic acid?
2-(2-methylpropyl)-5,7-dihydrofuro[3,4-b]pyridine-4-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-5,7-dihydrofuro[3,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 96607376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).