6-amino-3-(4-tert-butylphenyl)pyridine-2-carboxylic acid

C16H18N2O2 — CID 53229431

IUPAC6-amino-3-(4-tert-butylphenyl)pyridine-2-carboxylic acid
SMILESCC(C)(C)c1ccc(-c2ccc(N)nc2C(=O)O)cc1
InChIInChI=1S/C16H18N2O2/c1-16(2,3)11-6-4-10(5-7-11)12-8-9-13(17)18-14(12)15(19)20/h4-9H,1-3H3,(H2,17,18)(H,19,20)
InChIKeyIZXQXFLABGLKCR-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.33
Rot. Bonds2

About 6-amino-3-(4-tert-butylphenyl)pyridine-2-carboxylic acid

6-amino-3-(4-tert-butylphenyl)pyridine-2-carboxylic acid (PubChem CID 53229431) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 6-amino-3-(4-tert-butylphenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-amino-3-(4-tert-butylphenyl)pyridine-2-carboxylic acid
PubChem CID53229431
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name6-amino-3-(4-tert-butylphenyl)pyridine-2-carboxylic acid
SMILESCC(C)(C)c1ccc(-c2ccc(N)nc2C(=O)O)cc1
InChIInChI=1S/C16H18N2O2/c1-16(2,3)11-6-4-10(5-7-11)12-8-9-13(17)18-14(12)15(19)20/h4-9H,1-3H3,(H2,17,18)(H,19,20)
InChIKeyIZXQXFLABGLKCR-UHFFFAOYSA-N
XLogP3.33
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(4-tert-butylphenyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-amino-3-(4-tert-butylphenyl)pyridine-2-carboxylic acid (CID 53229431) is 6-amino-3-(4-tert-butylphenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-amino-3-(4-tert-butylphenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-amino-3-(4-tert-butylphenyl)pyridine-2-carboxylic acid is CC(C)(C)c1ccc(-c2ccc(N)nc2C(=O)O)cc1.
What is the InChIKey of 6-amino-3-(4-tert-butylphenyl)pyridine-2-carboxylic acid?
The InChIKey is IZXQXFLABGLKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-16(2,3)11-6-4-10(5-7-11)12-8-9-13(17)18-14(12)15(19)20/h4-9H,1-3H3,(H2,17,18)(H,19,20).
What are the key properties of 6-amino-3-(4-tert-butylphenyl)pyridine-2-carboxylic acid?
6-amino-3-(4-tert-butylphenyl)pyridine-2-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(4-tert-butylphenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 53229431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).