3-[4-methyl-3-(trifluoromethyl)anilino]pyridine-4-carboxylic acid

C14H11F3N2O2 — CID 105062675

IUPAC3-[4-methyl-3-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
SMILESCc1ccc(Nc2cnccc2C(=O)O)cc1C(F)(F)F
InChIInChI=1S/C14H11F3N2O2/c1-8-2-3-9(6-11(8)14(15,16)17)19-12-7-18-5-4-10(12)13(20)21/h2-7,19H,1H3,(H,20,21)
InChIKeyKHBCWPHXDZLSPW-UHFFFAOYSA-N
MW296.25 g/mol
LogP3.85
Rot. Bonds3

About 3-[4-methyl-3-(trifluoromethyl)anilino]pyridine-4-carboxylic acid

3-[4-methyl-3-(trifluoromethyl)anilino]pyridine-4-carboxylic acid (PubChem CID 105062675) has the molecular formula C14H11F3N2O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is 3-[4-methyl-3-(trifluoromethyl)anilino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[4-methyl-3-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
PubChem CID105062675
Molecular FormulaC14H11F3N2O2
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC Name3-[4-methyl-3-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
SMILESCc1ccc(Nc2cnccc2C(=O)O)cc1C(F)(F)F
InChIInChI=1S/C14H11F3N2O2/c1-8-2-3-9(6-11(8)14(15,16)17)19-12-7-18-5-4-10(12)13(20)21/h2-7,19H,1H3,(H,20,21)
InChIKeyKHBCWPHXDZLSPW-UHFFFAOYSA-N
XLogP3.85
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
CID 81244152
3-[2-methyl-5-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
CID 105062753
4-[4-bromo-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
CID 81244664
4-(3,4-dimethylanilino)pyridine-3-carboxylic acid
CID 81233469
3-(4-fluoro-2-methylanilino)pyridine-4-carboxylic acid
CID 105062559
4-(3-chloro-4-methylanilino)pyridine-3-carboxylic acid
CID 81232618
3-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]pyridine-4-carboxylic acid
CID 105062546
3-[2-fluoro-5-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
CID 105062709
5-[4-methyl-3-(trifluoromethyl)anilino]pyrazine-2-carboxylic acid
CID 107372402
3-[2-chloro-5-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
CID 105062553
2-methyl-5-[(3-nitro-4-pyridinyl)amino]benzoic acid
CID 63653876
2,4-dimethyl-5-[4-(trifluoromethyl)-3-pyridinyl]benzoic acid
CID 107515751

Frequently Asked Questions

What is the IUPAC name of 3-[4-methyl-3-(trifluoromethyl)anilino]pyridine-4-carboxylic acid?
The IUPAC name of 3-[4-methyl-3-(trifluoromethyl)anilino]pyridine-4-carboxylic acid (CID 105062675) is 3-[4-methyl-3-(trifluoromethyl)anilino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[4-methyl-3-(trifluoromethyl)anilino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[4-methyl-3-(trifluoromethyl)anilino]pyridine-4-carboxylic acid is Cc1ccc(Nc2cnccc2C(=O)O)cc1C(F)(F)F.
What is the InChIKey of 3-[4-methyl-3-(trifluoromethyl)anilino]pyridine-4-carboxylic acid?
The InChIKey is KHBCWPHXDZLSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2/c1-8-2-3-9(6-11(8)14(15,16)17)19-12-7-18-5-4-10(12)13(20)21/h2-7,19H,1H3,(H,20,21).
What are the key properties of 3-[4-methyl-3-(trifluoromethyl)anilino]pyridine-4-carboxylic acid?
3-[4-methyl-3-(trifluoromethyl)anilino]pyridine-4-carboxylic acid has a molecular weight of 296.25 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methyl-3-(trifluoromethyl)anilino]pyridine-4-carboxylic acid is sourced from PubChem (CID 105062675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).