2-tert-butylpyridine-3-carboxylic acid

C10H13NO2 — CID 20815660

IUPAC2-tert-butylpyridine-3-carboxylic acid
SMILESCC(C)(C)c1ncccc1C(=O)O
InChIInChI=1S/C10H13NO2/c1-10(2,3)8-7(9(12)13)5-4-6-11-8/h4-6H,1-3H3,(H,12,13)
InChIKeyNOGNUWMSRCWLEN-UHFFFAOYSA-N
MW179.22 g/mol
LogP2.08
Rot. Bonds1

About 2-tert-butylpyridine-3-carboxylic acid

2-tert-butylpyridine-3-carboxylic acid (PubChem CID 20815660) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-tert-butylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-tert-butylpyridine-3-carboxylic acid
PubChem CID20815660
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name2-tert-butylpyridine-3-carboxylic acid
SMILESCC(C)(C)c1ncccc1C(=O)O
InChIInChI=1S/C10H13NO2/c1-10(2,3)8-7(9(12)13)5-4-6-11-8/h4-6H,1-3H3,(H,12,13)
InChIKeyNOGNUWMSRCWLEN-UHFFFAOYSA-N
XLogP2.08
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylbut-3-en-2-yl)pyridine-3-carboxylic acid
CID 89358135
2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-carboxylic acid
CID 129319079
2-(2-hydroxy-2-methylpropanoyl)oxypyridine-3-carboxylic acid
CID 117096547
2-methylpyridine-3-carboxylic acid;hydroiodide
CID 70394156
2-(1,2,4-trihydroxybutan-2-yl)pyridine-3-carboxylic acid
CID 70182858
pyridine-2,3-dicarboxylic acid
CID 1066
2-[(4-tert-butylthiadiazole-5-carbonyl)amino]pyridine-3-carboxylic acid
CID 65205295
pyridine-2,3-dicarboxylic acid;hydrofluoride
CID 159031685
CID 119078369
CID 119078369
(3-carboxy-2-pyridinyl)astatine
CID 174507208
pyridine-2,3-dicarboxylic acid;dihydrochloride
CID 66831313
O-ethyl 2-tert-butylpyridine-3-carbothioate
CID 151409805

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylpyridine-3-carboxylic acid?
The IUPAC name of 2-tert-butylpyridine-3-carboxylic acid (CID 20815660) is 2-tert-butylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-tert-butylpyridine-3-carboxylic acid?
The canonical SMILES for 2-tert-butylpyridine-3-carboxylic acid is CC(C)(C)c1ncccc1C(=O)O.
What is the InChIKey of 2-tert-butylpyridine-3-carboxylic acid?
The InChIKey is NOGNUWMSRCWLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-10(2,3)8-7(9(12)13)5-4-6-11-8/h4-6H,1-3H3,(H,12,13).
What are the key properties of 2-tert-butylpyridine-3-carboxylic acid?
2-tert-butylpyridine-3-carboxylic acid has a molecular weight of 179.22 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylpyridine-3-carboxylic acid is sourced from PubChem (CID 20815660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).