2-tert-butyl-6-(furan-3-yl)pyridine-3-carboxylic acid

C14H15NO3 — CID 116533914

IUPAC2-tert-butyl-6-(furan-3-yl)pyridine-3-carboxylic acid
SMILESCC(C)(C)c1nc(-c2ccoc2)ccc1C(=O)O
InChIInChI=1S/C14H15NO3/c1-14(2,3)12-10(13(16)17)4-5-11(15-12)9-6-7-18-8-9/h4-8H,1-3H3,(H,16,17)
InChIKeyNHBWMEBXTXYOHP-UHFFFAOYSA-N
MW245.28 g/mol
LogP3.34
Rot. Bonds2

About 2-tert-butyl-6-(furan-3-yl)pyridine-3-carboxylic acid

2-tert-butyl-6-(furan-3-yl)pyridine-3-carboxylic acid (PubChem CID 116533914) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-tert-butyl-6-(furan-3-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-6-(furan-3-yl)pyridine-3-carboxylic acid
PubChem CID116533914
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name2-tert-butyl-6-(furan-3-yl)pyridine-3-carboxylic acid
SMILESCC(C)(C)c1nc(-c2ccoc2)ccc1C(=O)O
InChIInChI=1S/C14H15NO3/c1-14(2,3)12-10(13(16)17)4-5-11(15-12)9-6-7-18-8-9/h4-8H,1-3H3,(H,16,17)
InChIKeyNHBWMEBXTXYOHP-UHFFFAOYSA-N
XLogP3.34
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(furan-3-yl)pyridine-3-carboxylic acid?
The IUPAC name of 2-tert-butyl-6-(furan-3-yl)pyridine-3-carboxylic acid (CID 116533914) is 2-tert-butyl-6-(furan-3-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-6-(furan-3-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-tert-butyl-6-(furan-3-yl)pyridine-3-carboxylic acid is CC(C)(C)c1nc(-c2ccoc2)ccc1C(=O)O.
What is the InChIKey of 2-tert-butyl-6-(furan-3-yl)pyridine-3-carboxylic acid?
The InChIKey is NHBWMEBXTXYOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-14(2,3)12-10(13(16)17)4-5-11(15-12)9-6-7-18-8-9/h4-8H,1-3H3,(H,16,17).
What are the key properties of 2-tert-butyl-6-(furan-3-yl)pyridine-3-carboxylic acid?
2-tert-butyl-6-(furan-3-yl)pyridine-3-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(furan-3-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 116533914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).