6-tert-butylpyridine-2-carboxylic acid

C10H13NO2 — CID 20709529

IUPAC6-tert-butylpyridine-2-carboxylic acid
SMILESCC(C)(C)c1cccc(C(=O)O)n1
InChIInChI=1S/C10H13NO2/c1-10(2,3)8-6-4-5-7(11-8)9(12)13/h4-6H,1-3H3,(H,12,13)
InChIKeyRQSBFPLFUAQEDT-UHFFFAOYSA-N
MW179.22 g/mol
LogP2.08
Rot. Bonds1

About 6-tert-butylpyridine-2-carboxylic acid

6-tert-butylpyridine-2-carboxylic acid (PubChem CID 20709529) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 6-tert-butylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-tert-butylpyridine-2-carboxylic acid
PubChem CID20709529
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name6-tert-butylpyridine-2-carboxylic acid
SMILESCC(C)(C)c1cccc(C(=O)O)n1
InChIInChI=1S/C10H13NO2/c1-10(2,3)8-6-4-5-7(11-8)9(12)13/h4-6H,1-3H3,(H,12,13)
InChIKeyRQSBFPLFUAQEDT-UHFFFAOYSA-N
XLogP2.08
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butylpyridine-2-carboxylic acid?
The IUPAC name of 6-tert-butylpyridine-2-carboxylic acid (CID 20709529) is 6-tert-butylpyridine-2-carboxylic acid.
What is the SMILES notation for 6-tert-butylpyridine-2-carboxylic acid?
The canonical SMILES for 6-tert-butylpyridine-2-carboxylic acid is CC(C)(C)c1cccc(C(=O)O)n1.
What is the InChIKey of 6-tert-butylpyridine-2-carboxylic acid?
The InChIKey is RQSBFPLFUAQEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-10(2,3)8-6-4-5-7(11-8)9(12)13/h4-6H,1-3H3,(H,12,13).
What are the key properties of 6-tert-butylpyridine-2-carboxylic acid?
6-tert-butylpyridine-2-carboxylic acid has a molecular weight of 179.22 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylpyridine-2-carboxylic acid is sourced from PubChem (CID 20709529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).