6-tert-butyl-2-methyl-5-(trifluoromethyl)pyridine-3-carboxylic acid

C12H14F3NO2 — CID 169256937

IUPAC6-tert-butyl-2-methyl-5-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCc1nc(C(C)(C)C)c(C(F)(F)F)cc1C(=O)O
InChIInChI=1S/C12H14F3NO2/c1-6-7(10(17)18)5-8(12(13,14)15)9(16-6)11(2,3)4/h5H,1-4H3,(H,17,18)
InChIKeyCTWFQMGCASRFTL-UHFFFAOYSA-N
MW261.24 g/mol
LogP3.40
Rot. Bonds1

About 6-tert-butyl-2-methyl-5-(trifluoromethyl)pyridine-3-carboxylic acid

6-tert-butyl-2-methyl-5-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 169256937) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 6-tert-butyl-2-methyl-5-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-tert-butyl-2-methyl-5-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID169256937
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name6-tert-butyl-2-methyl-5-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCc1nc(C(C)(C)C)c(C(F)(F)F)cc1C(=O)O
InChIInChI=1S/C12H14F3NO2/c1-6-7(10(17)18)5-8(12(13,14)15)9(16-6)11(2,3)4/h5H,1-4H3,(H,17,18)
InChIKeyCTWFQMGCASRFTL-UHFFFAOYSA-N
XLogP3.40
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 112694386
6-tert-butyl-3-methylpyridazine-4-carboxylic acid
CID 96623276
2-methyl-4,6-bis(trifluoromethyl)pyridine-3-carboxylic acid
CID 163198807
2-bromo-4,5-bis(trifluoromethyl)benzoic acid
CID 118801484
5-tert-butyl-2,4-dimethylbenzoic acid
CID 123469469
2,8-dimethylpyrido[3,2-g]quinoline-3,7-dicarboxylic acid
CID 2749573
5-bromo-2,6-dimethylpyridine-3-carboxylic acid
CID 130636897
2-methyl-3,5-bis(trifluoromethyl)benzoic acid
CID 53430558
2,5-dimethyl-3-(trifluoromethyl)benzoic acid;ethane
CID 177201270
5-methyl-2,3-bis(trifluoromethyl)benzoic acid
CID 119020616
2-tert-butyl-5-methylpyridine-3-carboxylic acid
CID 83915652
6-bromo-5-fluoro-2-methylpyridine-3-carboxylic acid
CID 159654807

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-methyl-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-tert-butyl-2-methyl-5-(trifluoromethyl)pyridine-3-carboxylic acid (CID 169256937) is 6-tert-butyl-2-methyl-5-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-tert-butyl-2-methyl-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-tert-butyl-2-methyl-5-(trifluoromethyl)pyridine-3-carboxylic acid is Cc1nc(C(C)(C)C)c(C(F)(F)F)cc1C(=O)O.
What is the InChIKey of 6-tert-butyl-2-methyl-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is CTWFQMGCASRFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-6-7(10(17)18)5-8(12(13,14)15)9(16-6)11(2,3)4/h5H,1-4H3,(H,17,18).
What are the key properties of 6-tert-butyl-2-methyl-5-(trifluoromethyl)pyridine-3-carboxylic acid?
6-tert-butyl-2-methyl-5-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 261.24 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-methyl-5-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 169256937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).