6-tert-butyl-2,3-dihydrofuro[2,3-b]pyridine-5-carboxylic acid

C12H15NO3 — CID 83822535

IUPAC6-tert-butyl-2,3-dihydrofuro[2,3-b]pyridine-5-carboxylic acid
SMILESCC(C)(C)c1nc2c(cc1C(=O)O)CCO2
InChIInChI=1S/C12H15NO3/c1-12(2,3)9-8(11(14)15)6-7-4-5-16-10(7)13-9/h6H,4-5H2,1-3H3,(H,14,15)
InChIKeyMNEWBUJQOHGTCR-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.01
Rot. Bonds1

About 6-tert-butyl-2,3-dihydrofuro[2,3-b]pyridine-5-carboxylic acid

6-tert-butyl-2,3-dihydrofuro[2,3-b]pyridine-5-carboxylic acid (PubChem CID 83822535) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 6-tert-butyl-2,3-dihydrofuro[2,3-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name6-tert-butyl-2,3-dihydrofuro[2,3-b]pyridine-5-carboxylic acid
PubChem CID83822535
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name6-tert-butyl-2,3-dihydrofuro[2,3-b]pyridine-5-carboxylic acid
SMILESCC(C)(C)c1nc2c(cc1C(=O)O)CCO2
InChIInChI=1S/C12H15NO3/c1-12(2,3)9-8(11(14)15)6-7-4-5-16-10(7)13-9/h6H,4-5H2,1-3H3,(H,14,15)
InChIKeyMNEWBUJQOHGTCR-UHFFFAOYSA-N
XLogP2.01
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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 6-tert-butyl-2,3-dihydrofuro[2,3-b]pyridine-5-carboxylic acid?
The IUPAC name of 6-tert-butyl-2,3-dihydrofuro[2,3-b]pyridine-5-carboxylic acid (CID 83822535) is 6-tert-butyl-2,3-dihydrofuro[2,3-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 6-tert-butyl-2,3-dihydrofuro[2,3-b]pyridine-5-carboxylic acid?
The canonical SMILES for 6-tert-butyl-2,3-dihydrofuro[2,3-b]pyridine-5-carboxylic acid is CC(C)(C)c1nc2c(cc1C(=O)O)CCO2.
What is the InChIKey of 6-tert-butyl-2,3-dihydrofuro[2,3-b]pyridine-5-carboxylic acid?
The InChIKey is MNEWBUJQOHGTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-12(2,3)9-8(11(14)15)6-7-4-5-16-10(7)13-9/h6H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 6-tert-butyl-2,3-dihydrofuro[2,3-b]pyridine-5-carboxylic acid?
6-tert-butyl-2,3-dihydrofuro[2,3-b]pyridine-5-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2,3-dihydrofuro[2,3-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 83822535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).