6-tert-butyl-1,2-dihydropyridine-2-carboxylic acid

C10H15NO2 — CID 118899377

IUPAC6-tert-butyl-1,2-dihydropyridine-2-carboxylic acid
SMILESCC(C)(C)C1=CC=CC(C(=O)O)N1
InChIInChI=1S/C10H15NO2/c1-10(2,3)8-6-4-5-7(11-8)9(12)13/h4-7,11H,1-3H3,(H,12,13)
InChIKeyKYVIYYZXABZXBD-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.53
Rot. Bonds1

About 6-tert-butyl-1,2-dihydropyridine-2-carboxylic acid

6-tert-butyl-1,2-dihydropyridine-2-carboxylic acid (PubChem CID 118899377) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 6-tert-butyl-1,2-dihydropyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-tert-butyl-1,2-dihydropyridine-2-carboxylic acid
PubChem CID118899377
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name6-tert-butyl-1,2-dihydropyridine-2-carboxylic acid
SMILESCC(C)(C)C1=CC=CC(C(=O)O)N1
InChIInChI=1S/C10H15NO2/c1-10(2,3)8-6-4-5-7(11-8)9(12)13/h4-7,11H,1-3H3,(H,12,13)
InChIKeyKYVIYYZXABZXBD-UHFFFAOYSA-N
XLogP1.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1,2-dihydropyridine-2-carboxylic acid?
The IUPAC name of 6-tert-butyl-1,2-dihydropyridine-2-carboxylic acid (CID 118899377) is 6-tert-butyl-1,2-dihydropyridine-2-carboxylic acid.
What is the SMILES notation for 6-tert-butyl-1,2-dihydropyridine-2-carboxylic acid?
The canonical SMILES for 6-tert-butyl-1,2-dihydropyridine-2-carboxylic acid is CC(C)(C)C1=CC=CC(C(=O)O)N1.
What is the InChIKey of 6-tert-butyl-1,2-dihydropyridine-2-carboxylic acid?
The InChIKey is KYVIYYZXABZXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-10(2,3)8-6-4-5-7(11-8)9(12)13/h4-7,11H,1-3H3,(H,12,13).
What are the key properties of 6-tert-butyl-1,2-dihydropyridine-2-carboxylic acid?
6-tert-butyl-1,2-dihydropyridine-2-carboxylic acid has a molecular weight of 181.24 g/mol, XLogP of 1.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1,2-dihydropyridine-2-carboxylic acid is sourced from PubChem (CID 118899377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).