5-bromo-3-tert-butylpyridine-2-carboxylic acid

C10H12BrNO2 — CID 84729396

IUPAC5-bromo-3-tert-butylpyridine-2-carboxylic acid
SMILESCC(C)(C)c1cc(Br)cnc1C(=O)O
InChIInChI=1S/C10H12BrNO2/c1-10(2,3)7-4-6(11)5-12-8(7)9(13)14/h4-5H,1-3H3,(H,13,14)
InChIKeyWVERZTVVEMXSFC-UHFFFAOYSA-N
MW258.12 g/mol
LogP2.84
Rot. Bonds1

About 5-bromo-3-tert-butylpyridine-2-carboxylic acid

5-bromo-3-tert-butylpyridine-2-carboxylic acid (PubChem CID 84729396) has the molecular formula C10H12BrNO2 and a molecular weight of 258.12 g/mol. Its IUPAC name is 5-bromo-3-tert-butylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-3-tert-butylpyridine-2-carboxylic acid
PubChem CID84729396
Molecular FormulaC10H12BrNO2
Molecular Weight258.12 g/mol
Exact Mass257.01
IUPAC Name5-bromo-3-tert-butylpyridine-2-carboxylic acid
SMILESCC(C)(C)c1cc(Br)cnc1C(=O)O
InChIInChI=1S/C10H12BrNO2/c1-10(2,3)7-4-6(11)5-12-8(7)9(13)14/h4-5H,1-3H3,(H,13,14)
InChIKeyWVERZTVVEMXSFC-UHFFFAOYSA-N
XLogP2.84
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-3-hydroxypyridine-2-carboxylic acid
CID 46315212
5-bromo-3-formylpyridine-2-carboxylic acid
CID 90456773
5-bromo-3-(difluoromethyl)pyridine-2-carboxylic acid;ethane
CID 156803169
3-bromo-5-(2-hydroxypropan-2-yl)pyridine-2-carboxylic acid
CID 169285876
3-bromo-4-tert-butyl-6-fluoropyridine-2-carboxylic acid
CID 89499079
5-bromo-3-(cyanomethyl)pyridine-2-carboxylic acid
CID 175885171
5-bromo-N-tert-butyl-N,3-dimethylpyridine-2-carboxamide
CID 70896534
3,6-dibromo-1,8-naphthyridine-2-carboxylic acid
CID 127256117
2-bromo-1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]ethanone;1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]ethanone
CID 159268309
5-bromo-2-[methyl(2-methylbutan-2-yl)amino]pyridine-3-carboxylic acid
CID 63958295
5-bromo-2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylic acid
CID 104762194
5-bromo-3-chloro-N-(2,2-dimethylpropyl)pyridine-2-carboxamide
CID 70896660

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-tert-butylpyridine-2-carboxylic acid?
The IUPAC name of 5-bromo-3-tert-butylpyridine-2-carboxylic acid (CID 84729396) is 5-bromo-3-tert-butylpyridine-2-carboxylic acid.
What is the SMILES notation for 5-bromo-3-tert-butylpyridine-2-carboxylic acid?
The canonical SMILES for 5-bromo-3-tert-butylpyridine-2-carboxylic acid is CC(C)(C)c1cc(Br)cnc1C(=O)O.
What is the InChIKey of 5-bromo-3-tert-butylpyridine-2-carboxylic acid?
The InChIKey is WVERZTVVEMXSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-10(2,3)7-4-6(11)5-12-8(7)9(13)14/h4-5H,1-3H3,(H,13,14).
What are the key properties of 5-bromo-3-tert-butylpyridine-2-carboxylic acid?
5-bromo-3-tert-butylpyridine-2-carboxylic acid has a molecular weight of 258.12 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-tert-butylpyridine-2-carboxylic acid is sourced from PubChem (CID 84729396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).