2-(2,3-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid

C13H6F5NO2 — CID 118830649

IUPAC2-(2,3-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1c(C(F)(F)F)ccnc1-c1cccc(F)c1F
InChIInChI=1S/C13H6F5NO2/c14-8-3-1-2-6(10(8)15)11-9(12(20)21)7(4-5-19-11)13(16,17)18/h1-5H,(H,20,21)
InChIKeyAJXZEOGEOAZJDZ-UHFFFAOYSA-N
MW303.19 g/mol
LogP3.74
Rot. Bonds2

About 2-(2,3-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid

2-(2,3-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 118830649) has the molecular formula C13H6F5NO2 and a molecular weight of 303.19 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID118830649
Molecular FormulaC13H6F5NO2
Molecular Weight303.19 g/mol
Exact Mass303.03
IUPAC Name2-(2,3-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1c(C(F)(F)F)ccnc1-c1cccc(F)c1F
InChIInChI=1S/C13H6F5NO2/c14-8-3-1-2-6(10(8)15)11-9(12(20)21)7(4-5-19-11)13(16,17)18/h1-5H,(H,20,21)
InChIKeyAJXZEOGEOAZJDZ-UHFFFAOYSA-N
XLogP3.74
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dichlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118830530
2-(2,3-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carbaldehyde
CID 118813601
2-(2,3-difluorophenyl)-3-(trifluoromethyl)pyridine
CID 170837725
[2-(2,3-difluorophenyl)-3-(trifluoromethyl)-4-pyridinyl]boronic acid
CID 153320819
2-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118802456
2-[2-(2,3-difluorophenyl)-5-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 118836266
2-(2,3-difluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118808003
2-pyridin-4-yl-6-(trifluoromethyl)benzoic acid
CID 46316119
2-[2-(2,3-difluorophenyl)-5-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118830660
6-(2,3-difluorophenyl)-5-fluoropyridine-2-carboxylic acid
CID 59226502
2-(2-phenylethenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 174577070
6-(2,3-difluorophenyl)pyridine-3-carboxylic acid
CID 24729986

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(2,3-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid (CID 118830649) is 2-(2,3-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2,3-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2,3-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid is O=C(O)c1c(C(F)(F)F)ccnc1-c1cccc(F)c1F.
What is the InChIKey of 2-(2,3-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is AJXZEOGEOAZJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F5NO2/c14-8-3-1-2-6(10(8)15)11-9(12(20)21)7(4-5-19-11)13(16,17)18/h1-5H,(H,20,21).
What are the key properties of 2-(2,3-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid?
2-(2,3-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 303.19 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 118830649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).