2-tert-butyl-6-ethyl-5-methylpyridine-3-carboxylic acid

C13H19NO2 — CID 116533822

IUPAC2-tert-butyl-6-ethyl-5-methylpyridine-3-carboxylic acid
SMILESCCc1nc(C(C)(C)C)c(C(=O)O)cc1C
InChIInChI=1S/C13H19NO2/c1-6-10-8(2)7-9(12(15)16)11(14-10)13(3,4)5/h7H,6H2,1-5H3,(H,15,16)
InChIKeyWTFFSLNXLZHZSQ-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.95
Rot. Bonds2

About 2-tert-butyl-6-ethyl-5-methylpyridine-3-carboxylic acid

2-tert-butyl-6-ethyl-5-methylpyridine-3-carboxylic acid (PubChem CID 116533822) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-tert-butyl-6-ethyl-5-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-6-ethyl-5-methylpyridine-3-carboxylic acid
PubChem CID116533822
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-tert-butyl-6-ethyl-5-methylpyridine-3-carboxylic acid
SMILESCCc1nc(C(C)(C)C)c(C(=O)O)cc1C
InChIInChI=1S/C13H19NO2/c1-6-10-8(2)7-9(12(15)16)11(14-10)13(3,4)5/h7H,6H2,1-5H3,(H,15,16)
InChIKeyWTFFSLNXLZHZSQ-UHFFFAOYSA-N
XLogP2.95
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-ethyl-5-methylpyridine-3-carboxylic acid?
The IUPAC name of 2-tert-butyl-6-ethyl-5-methylpyridine-3-carboxylic acid (CID 116533822) is 2-tert-butyl-6-ethyl-5-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-6-ethyl-5-methylpyridine-3-carboxylic acid?
The canonical SMILES for 2-tert-butyl-6-ethyl-5-methylpyridine-3-carboxylic acid is CCc1nc(C(C)(C)C)c(C(=O)O)cc1C.
What is the InChIKey of 2-tert-butyl-6-ethyl-5-methylpyridine-3-carboxylic acid?
The InChIKey is WTFFSLNXLZHZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-6-10-8(2)7-9(12(15)16)11(14-10)13(3,4)5/h7H,6H2,1-5H3,(H,15,16).
What are the key properties of 2-tert-butyl-6-ethyl-5-methylpyridine-3-carboxylic acid?
2-tert-butyl-6-ethyl-5-methylpyridine-3-carboxylic acid has a molecular weight of 221.30 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-ethyl-5-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 116533822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).