acetic acid;2-[2-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid

C16H15F3N2O4 — CID 175172290

IUPACacetic acid;2-[2-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
SMILESCC(=O)O.Cc1c(Nc2ncccc2C(=O)O)cccc1C(F)(F)F
InChIInChI=1S/C14H11F3N2O2.C2H4O2/c1-8-10(14(15,16)17)5-2-6-11(8)19-12-9(13(20)21)4-3-7-18-12;1-2(3)4/h2-7H,1H3,(H,18,19)(H,20,21);1H3,(H,3,4)
InChIKeyZDYISSKNWGNMNZ-UHFFFAOYSA-N
MW356.30 g/mol
LogP3.94
Rot. Bonds3

About acetic acid;2-[2-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid

acetic acid;2-[2-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid (PubChem CID 175172290) has the molecular formula C16H15F3N2O4 and a molecular weight of 356.30 g/mol. Its IUPAC name is acetic acid;2-[2-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Nameacetic acid;2-[2-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
PubChem CID175172290
Molecular FormulaC16H15F3N2O4
Molecular Weight356.30 g/mol
Exact Mass356.10
IUPAC Nameacetic acid;2-[2-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
SMILESCC(=O)O.Cc1c(Nc2ncccc2C(=O)O)cccc1C(F)(F)F
InChIInChI=1S/C14H11F3N2O2.C2H4O2/c1-8-10(14(15,16)17)5-2-6-11(8)19-12-9(13(20)21)4-3-7-18-12;1-2(3)4/h2-7H,1H3,(H,18,19)(H,20,21);1H3,(H,3,4)
InChIKeyZDYISSKNWGNMNZ-UHFFFAOYSA-N
XLogP3.94
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-(methylamino)-5-oxopentanoic acid;2-[2-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
CID 70560525
2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid
CID 67783774
2-[3-nitro-2-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
CID 154389587
2-(3-chloro-2-methylanilino)benzoic acid;2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
CID 66813719
N-[2-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 66867834
2-[2-methoxy-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
CID 178064922
2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxylic acid
CID 11716131
2-(4-fluoro-3-methylanilino)pyridine-3-carboxylic acid
CID 62812366
2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid;hydrochloride
CID 70546974
2-(4-bromo-3,5-dimethylanilino)pyridine-3-carboxylic acid
CID 107575443
2-[[(2E,4E)-6,6,6-trifluoro-5-methylhexa-2,4-dien-3-yl]amino]pyridine-3-carboxylic acid
CID 162577082
sodium;hydride;2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid
CID 173418480

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-[2-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid?
The IUPAC name of acetic acid;2-[2-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid (CID 175172290) is acetic acid;2-[2-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid.
What is the SMILES notation for acetic acid;2-[2-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid?
The canonical SMILES for acetic acid;2-[2-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid is CC(=O)O.Cc1c(Nc2ncccc2C(=O)O)cccc1C(F)(F)F.
What is the InChIKey of acetic acid;2-[2-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid?
The InChIKey is ZDYISSKNWGNMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2.C2H4O2/c1-8-10(14(15,16)17)5-2-6-11(8)19-12-9(13(20)21)4-3-7-18-12;1-2(3)4/h2-7H,1H3,(H,18,19)(H,20,21);1H3,(H,3,4).
What are the key properties of acetic acid;2-[2-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid?
acetic acid;2-[2-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid has a molecular weight of 356.30 g/mol, XLogP of 3.94, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-[2-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid is sourced from PubChem (CID 175172290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).