6-tert-butyl-2H-pyridine-1-carboxylic acid

C10H15NO2 — CID 68931606

IUPAC6-tert-butyl-2H-pyridine-1-carboxylic acid
SMILESCC(C)(C)C1=CC=CCN1C(=O)O
InChIInChI=1S/C10H15NO2/c1-10(2,3)8-6-4-5-7-11(8)9(12)13/h4-6H,7H2,1-3H3,(H,12,13)
InChIKeyDAWWGDNDKHJKFC-UHFFFAOYSA-N
MW181.23 g/mol
LogP2.47
Rot. Bonds

About 6-tert-butyl-2H-pyridine-1-carboxylic acid

6-tert-butyl-2H-pyridine-1-carboxylic acid (PubChem CID 68931606) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 6-tert-butyl-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name6-tert-butyl-2H-pyridine-1-carboxylic acid
PubChem CID68931606
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name6-tert-butyl-2H-pyridine-1-carboxylic acid
SMILESCC(C)(C)C1=CC=CCN1C(=O)O
InChIInChI=1S/C10H15NO2/c1-10(2,3)8-6-4-5-7-11(8)9(12)13/h4-6H,7H2,1-3H3,(H,12,13)
InChIKeyDAWWGDNDKHJKFC-UHFFFAOYSA-N
XLogP2.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2H-pyridine-1-carboxylic acid?
The IUPAC name of 6-tert-butyl-2H-pyridine-1-carboxylic acid (CID 68931606) is 6-tert-butyl-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 6-tert-butyl-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 6-tert-butyl-2H-pyridine-1-carboxylic acid is CC(C)(C)C1=CC=CCN1C(=O)O.
What is the InChIKey of 6-tert-butyl-2H-pyridine-1-carboxylic acid?
The InChIKey is DAWWGDNDKHJKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-10(2,3)8-6-4-5-7-11(8)9(12)13/h4-6H,7H2,1-3H3,(H,12,13).
What are the key properties of 6-tert-butyl-2H-pyridine-1-carboxylic acid?
6-tert-butyl-2H-pyridine-1-carboxylic acid has a molecular weight of 181.23 g/mol, XLogP of 2.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 68931606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).