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

C11H15NO2 — CID 83915652

IUPAC2-tert-butyl-5-methylpyridine-3-carboxylic acid
SMILESCc1cnc(C(C)(C)C)c(C(=O)O)c1
InChIInChI=1S/C11H15NO2/c1-7-5-8(10(13)14)9(12-6-7)11(2,3)4/h5-6H,1-4H3,(H,13,14)
InChIKeyBQKYUJBKXITWPA-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.39
Rot. Bonds1

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

2-tert-butyl-5-methylpyridine-3-carboxylic acid (PubChem CID 83915652) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-tert-butyl-5-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-5-methylpyridine-3-carboxylic acid
PubChem CID83915652
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-tert-butyl-5-methylpyridine-3-carboxylic acid
SMILESCc1cnc(C(C)(C)C)c(C(=O)O)c1
InChIInChI=1S/C11H15NO2/c1-7-5-8(10(13)14)9(12-6-7)11(2,3)4/h5-6H,1-4H3,(H,13,14)
InChIKeyBQKYUJBKXITWPA-UHFFFAOYSA-N
XLogP2.39
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methylpyridine-3-carboxylic acid?
The IUPAC name of 2-tert-butyl-5-methylpyridine-3-carboxylic acid (CID 83915652) is 2-tert-butyl-5-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-5-methylpyridine-3-carboxylic acid?
The canonical SMILES for 2-tert-butyl-5-methylpyridine-3-carboxylic acid is Cc1cnc(C(C)(C)C)c(C(=O)O)c1.
What is the InChIKey of 2-tert-butyl-5-methylpyridine-3-carboxylic acid?
The InChIKey is BQKYUJBKXITWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7-5-8(10(13)14)9(12-6-7)11(2,3)4/h5-6H,1-4H3,(H,13,14).
What are the key properties of 2-tert-butyl-5-methylpyridine-3-carboxylic acid?
2-tert-butyl-5-methylpyridine-3-carboxylic acid has a molecular weight of 193.25 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 83915652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).