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

C16H17ClN2O2 — CID 155338252

IUPAC2-amino-6-(4-tert-butylphenyl)-4-chloropyridine-3-carboxylic acid
SMILESCC(C)(C)c1ccc(-c2cc(Cl)c(C(=O)O)c(N)n2)cc1
InChIInChI=1S/C16H17ClN2O2/c1-16(2,3)10-6-4-9(5-7-10)12-8-11(17)13(15(20)21)14(18)19-12/h4-8H,1-3H3,(H2,18,19)(H,20,21)
InChIKeyJKASSSIWEZULMD-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.98
Rot. Bonds2

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

2-amino-6-(4-tert-butylphenyl)-4-chloropyridine-3-carboxylic acid (PubChem CID 155338252) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-amino-6-(4-tert-butylphenyl)-4-chloropyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-6-(4-tert-butylphenyl)-4-chloropyridine-3-carboxylic acid
PubChem CID155338252
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-amino-6-(4-tert-butylphenyl)-4-chloropyridine-3-carboxylic acid
SMILESCC(C)(C)c1ccc(-c2cc(Cl)c(C(=O)O)c(N)n2)cc1
InChIInChI=1S/C16H17ClN2O2/c1-16(2,3)10-6-4-9(5-7-10)12-8-11(17)13(15(20)21)14(18)19-12/h4-8H,1-3H3,(H2,18,19)(H,20,21)
InChIKeyJKASSSIWEZULMD-UHFFFAOYSA-N
XLogP3.98
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-tert-butylphenyl)-4-chloropyridine-3-carboxylic acid?
The IUPAC name of 2-amino-6-(4-tert-butylphenyl)-4-chloropyridine-3-carboxylic acid (CID 155338252) is 2-amino-6-(4-tert-butylphenyl)-4-chloropyridine-3-carboxylic acid.
What is the SMILES notation for 2-amino-6-(4-tert-butylphenyl)-4-chloropyridine-3-carboxylic acid?
The canonical SMILES for 2-amino-6-(4-tert-butylphenyl)-4-chloropyridine-3-carboxylic acid is CC(C)(C)c1ccc(-c2cc(Cl)c(C(=O)O)c(N)n2)cc1.
What is the InChIKey of 2-amino-6-(4-tert-butylphenyl)-4-chloropyridine-3-carboxylic acid?
The InChIKey is JKASSSIWEZULMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-16(2,3)10-6-4-9(5-7-10)12-8-11(17)13(15(20)21)14(18)19-12/h4-8H,1-3H3,(H2,18,19)(H,20,21).
What are the key properties of 2-amino-6-(4-tert-butylphenyl)-4-chloropyridine-3-carboxylic acid?
2-amino-6-(4-tert-butylphenyl)-4-chloropyridine-3-carboxylic acid has a molecular weight of 304.78 g/mol, XLogP of 3.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-tert-butylphenyl)-4-chloropyridine-3-carboxylic acid is sourced from PubChem (CID 155338252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).