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

C14H11F3N2O2 — CID 81244152

IUPAC4-[4-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
SMILESCc1ccc(Nc2ccncc2C(=O)O)cc1C(F)(F)F
InChIInChI=1S/C14H11F3N2O2/c1-8-2-3-9(6-11(8)14(15,16)17)19-12-4-5-18-7-10(12)13(20)21/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKeyGWCZCCVFILLBSF-UHFFFAOYSA-N
MW296.25 g/mol
LogP3.85
Rot. Bonds3

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

4-[4-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid (PubChem CID 81244152) has the molecular formula C14H11F3N2O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is 4-[4-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[4-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
PubChem CID81244152
Molecular FormulaC14H11F3N2O2
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC Name4-[4-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
SMILESCc1ccc(Nc2ccncc2C(=O)O)cc1C(F)(F)F
InChIInChI=1S/C14H11F3N2O2/c1-8-2-3-9(6-11(8)14(15,16)17)19-12-4-5-18-7-10(12)13(20)21/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKeyGWCZCCVFILLBSF-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

3-[4-methyl-3-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
CID 105062675
4-[4-bromo-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
CID 81244664
4-(3,4-dimethylanilino)pyridine-3-carboxylic acid
CID 81233469
4-(3-chloro-4-methylanilino)pyridine-3-carboxylic acid
CID 81232618
4-(4-tert-butylanilino)pyridine-3-carboxylic acid
CID 81232443
4-(3-hydroxyanilino)pyridine-3-carboxylic acid
CID 115037604
4-(3-methylsulfanylanilino)pyridine-3-carboxylic acid
CID 81232442
5-[4-methyl-3-(trifluoromethyl)anilino]pyrazine-2-carboxylic acid
CID 107372402
2-methyl-5-[(3-nitro-4-pyridinyl)amino]benzoic acid
CID 63653876
4-(2-fluoro-5-methylanilino)pyridine-3-carboxylic acid
CID 81233139
4-(5-bromo-4-fluoro-2-methylanilino)pyridine-3-carboxylic acid
CID 107592865
3-[2-methyl-5-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
CID 105062753

Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid?
The IUPAC name of 4-[4-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid (CID 81244152) is 4-[4-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[4-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[4-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid is Cc1ccc(Nc2ccncc2C(=O)O)cc1C(F)(F)F.
What is the InChIKey of 4-[4-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid?
The InChIKey is GWCZCCVFILLBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2/c1-8-2-3-9(6-11(8)14(15,16)17)19-12-4-5-18-7-10(12)13(20)21/h2-7H,1H3,(H,18,19)(H,20,21).
What are the key properties of 4-[4-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid?
4-[4-methyl-3-(trifluoromethyl)anilino]pyridine-3-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 4-[4-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81244152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).