2-[2-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)-3-pyridinyl]acetic acid

C9H5F6NO2 — CID 118854183

IUPAC2-[2-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1c(C(F)F)ncc(C(F)(F)F)c1F
InChIInChI=1S/C9H5F6NO2/c10-6-3(1-5(17)18)7(8(11)12)16-2-4(6)9(13,14)15/h2,8H,1H2,(H,17,18)
InChIKeyVLLPMBCHFBQSBE-UHFFFAOYSA-N
MW273.13 g/mol
LogP2.80
Rot. Bonds3

About 2-[2-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)-3-pyridinyl]acetic acid

2-[2-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)-3-pyridinyl]acetic acid (PubChem CID 118854183) has the molecular formula C9H5F6NO2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 2-[2-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[2-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)-3-pyridinyl]acetic acid
PubChem CID118854183
Molecular FormulaC9H5F6NO2
Molecular Weight273.13 g/mol
Exact Mass273.02
IUPAC Name2-[2-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1c(C(F)F)ncc(C(F)(F)F)c1F
InChIInChI=1S/C9H5F6NO2/c10-6-3(1-5(17)18)7(8(11)12)16-2-4(6)9(13,14)15/h2,8H,1H2,(H,17,18)
InChIKeyVLLPMBCHFBQSBE-UHFFFAOYSA-N
XLogP2.80
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)-3-pyridinyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(difluoromethyl)-3-hydroxy-5-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 118809162
2-[2-(difluoromethyl)-5-iodo-4-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118831820
2-[3-(chloromethyl)-2-(difluoromethyl)-5-fluoro-4-pyridinyl]acetic acid
CID 130082407
[2-(difluoromethyl)-4-iodo-5-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130086810
2-[5-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134683635
ethyl 3-(aminomethyl)-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-4-carboxylate
CID 133084611
2-[4-amino-2-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetic acid
CID 118829164
2-[5-cyano-2-(difluoromethyl)-3-fluoro-4-pyridinyl]acetic acid
CID 130076328
2-[6-amino-2-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 134671561
ethyl 2-[4-amino-2-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetate
CID 134670665
2-[5-bromo-6-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 134676275
2-[5-amino-6-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 134671566

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)-3-pyridinyl]acetic acid?
The IUPAC name of 2-[2-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)-3-pyridinyl]acetic acid (CID 118854183) is 2-[2-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[2-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[2-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)-3-pyridinyl]acetic acid is O=C(O)Cc1c(C(F)F)ncc(C(F)(F)F)c1F.
What is the InChIKey of 2-[2-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)-3-pyridinyl]acetic acid?
The InChIKey is VLLPMBCHFBQSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F6NO2/c10-6-3(1-5(17)18)7(8(11)12)16-2-4(6)9(13,14)15/h2,8H,1H2,(H,17,18).
What are the key properties of 2-[2-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)-3-pyridinyl]acetic acid?
2-[2-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)-3-pyridinyl]acetic acid has a molecular weight of 273.13 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)-3-pyridinyl]acetic acid is sourced from PubChem (CID 118854183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).