3-(2-Methyl-6-trifluoromethylpyridin-3-yl)acrylic acid (HCID 68509934)

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Basic information

Standard SMILES: Cc1nc(C(F)(F)F)ccc1C=CC(=O)O
InChIKey: CHNFAYGEOZABBD-UHFFFAOYSA-N
Molecular formula: C10H8F3NO2
Average molar mass: 231.17 g/mol

Names & identifiers

Preferred name: 3-(2-Methyl-6-trifluoromethylpyridin-3-yl)acrylic acid
IUPAC: 3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enoic acid

Names & synonyms

3-(2-methyl-6-trifluoromethylpyridin-3-yl)acrylic acid3-[2-Methyl-6-(trifluoromethyl)-pyridin-3-yl]acrylic acidSCHEMBL30959703-[2-methyl-6-(trifluoromethyl)-3-pyridyl]prop-2-enoic acid

Database identifiers

PubChem CID: 68509934

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 50.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 288

Related reactions

10 records

New reaction record

HRID 87901As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 94983As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 296409As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 814198As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1223618As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1548760As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2155141As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

HRID 2265989As productuspto-grants-2010_12

Compound notes

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