6-(1-benzofuran-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid

C17H15NO3 — CID 116533402

IUPAC6-(1-benzofuran-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid
SMILESCC(C)c1nc(-c2cc3ccccc3o2)ccc1C(=O)O
InChIInChI=1S/C17H15NO3/c1-10(2)16-12(17(19)20)7-8-13(18-16)15-9-11-5-3-4-6-14(11)21-15/h3-10H,1-2H3,(H,19,20)
InChIKeyVODSAZOLJMBJMS-UHFFFAOYSA-N
MW281.31 g/mol
LogP4.32
Rot. Bonds3

About 6-(1-benzofuran-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid

6-(1-benzofuran-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid (PubChem CID 116533402) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 6-(1-benzofuran-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(1-benzofuran-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid
PubChem CID116533402
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name6-(1-benzofuran-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid
SMILESCC(C)c1nc(-c2cc3ccccc3o2)ccc1C(=O)O
InChIInChI=1S/C17H15NO3/c1-10(2)16-12(17(19)20)7-8-13(18-16)15-9-11-5-3-4-6-14(11)21-15/h3-10H,1-2H3,(H,19,20)
InChIKeyVODSAZOLJMBJMS-UHFFFAOYSA-N
XLogP4.32
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(1-benzofuran-2-yl)ethenyl]-4-propan-2-ylpyrimidine-5-carboxylic acid
CID 154744020
2-oxochromene-3-carboxylic acid
CID 161011590
2-(1-benzofuran-2-yl)-5-chloro-8-methylquinoline-4-carboxylic acid
CID 5024096
2-(1-benzofuran-2-yl)thiophene-3-carboxylic acid
CID 82385837
4-[3-(1-benzofuran-2-yl)pyrazol-1-yl]benzoic acid
CID 58156638
3-amino-5-(1-benzofuran-2-yl)-4-propan-2-ylthiophene-2-carboxylic acid
CID 83034869
6-(5-bromothiophen-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid
CID 116533474
2,5-bis(1-benzofuran-2-yl)pyrazine
CID 86184221
1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine
CID 61337489
6-(5-chlorothiophen-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid
CID 116533409
6-(2,4-dichloro-5-fluorophenyl)-2-propan-2-ylpyridine-3-carboxylic acid
CID 116533410
6-(1-benzofuran-2-yl)pyridine-2-carbaldehyde
CID 86672842

Frequently Asked Questions

What is the IUPAC name of 6-(1-benzofuran-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid?
The IUPAC name of 6-(1-benzofuran-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid (CID 116533402) is 6-(1-benzofuran-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-(1-benzofuran-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid?
The canonical SMILES for 6-(1-benzofuran-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid is CC(C)c1nc(-c2cc3ccccc3o2)ccc1C(=O)O.
What is the InChIKey of 6-(1-benzofuran-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid?
The InChIKey is VODSAZOLJMBJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-10(2)16-12(17(19)20)7-8-13(18-16)15-9-11-5-3-4-6-14(11)21-15/h3-10H,1-2H3,(H,19,20).
What are the key properties of 6-(1-benzofuran-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid?
6-(1-benzofuran-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzofuran-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 116533402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).