5-amino-2,6-dimethyl-4-(trifluoromethyl)pyridine-3-carboxylic acid

C9H9F3N2O2 — CID 82389859

IUPAC5-amino-2,6-dimethyl-4-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCc1nc(C)c(C(=O)O)c(C(F)(F)F)c1N
InChIInChI=1S/C9H9F3N2O2/c1-3-5(8(15)16)6(9(10,11)12)7(13)4(2)14-3/h13H2,1-2H3,(H,15,16)
InChIKeyOJYOHLXKXKPTJU-UHFFFAOYSA-N
MW234.18 g/mol
LogP2.00
Rot. Bonds1

About 5-amino-2,6-dimethyl-4-(trifluoromethyl)pyridine-3-carboxylic acid

5-amino-2,6-dimethyl-4-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 82389859) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is 5-amino-2,6-dimethyl-4-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-2,6-dimethyl-4-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID82389859
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Name5-amino-2,6-dimethyl-4-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCc1nc(C)c(C(=O)O)c(C(F)(F)F)c1N
InChIInChI=1S/C9H9F3N2O2/c1-3-5(8(15)16)6(9(10,11)12)7(13)4(2)14-3/h13H2,1-2H3,(H,15,16)
InChIKeyOJYOHLXKXKPTJU-UHFFFAOYSA-N
XLogP2.00
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2-chloro-6-methyl-4-(trifluoromethyl)pyridine-3-carboxamide
CID 141497614
6-fluoro-4-methoxy-2-methyl-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 178173665
4-methyl-2,6-bis(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 83401347
4,6-dimethyl-5-(trifluoromethyl)pyrimidin-2-amine
CID 177041669
5-amino-4-cyclopentyl-2,6-dimethylpyridine-3-carboxylic acid
CID 96596815
2-methyl-4,6-bis(trifluoromethyl)pyridine-3-carboxylic acid
CID 163198807
4-amino-6-methyl-2-(methylsulfanylmethyl)pyrimidine-5-carboxylic acid
CID 116647398
2,6-dimethyl-3,4,5-tris(trifluoromethyl)pyridine
CID 167619078
4,6-dimethyl-2-(methylamino)pyrimidine-5-carboxylic acid
CID 62746638
4-amino-2-(trifluoromethyl)pyridine-3,5-dicarboxylic acid
CID 67931571
2,4,6-trimethyl-3,5-bis(trifluoromethyl)aniline
CID 71327551
5-bromo-2-methyl-4-(trifluoromethyl)furan-3-carboxylic acid
CID 84713437

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,6-dimethyl-4-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-2,6-dimethyl-4-(trifluoromethyl)pyridine-3-carboxylic acid (CID 82389859) is 5-amino-2,6-dimethyl-4-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-2,6-dimethyl-4-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-2,6-dimethyl-4-(trifluoromethyl)pyridine-3-carboxylic acid is Cc1nc(C)c(C(=O)O)c(C(F)(F)F)c1N.
What is the InChIKey of 5-amino-2,6-dimethyl-4-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is OJYOHLXKXKPTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c1-3-5(8(15)16)6(9(10,11)12)7(13)4(2)14-3/h13H2,1-2H3,(H,15,16).
What are the key properties of 5-amino-2,6-dimethyl-4-(trifluoromethyl)pyridine-3-carboxylic acid?
5-amino-2,6-dimethyl-4-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 234.18 g/mol, XLogP of 2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,6-dimethyl-4-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 82389859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).