2-[2-(2,3-difluorophenyl)-5-(trifluoromethyl)-4-pyridinyl]acetic acid

C14H8F5NO2 — CID 118836266

IUPAC2-[2-(2,3-difluorophenyl)-5-(trifluoromethyl)-4-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(-c2cccc(F)c2F)ncc1C(F)(F)F
InChIInChI=1S/C14H8F5NO2/c15-10-3-1-2-8(13(10)16)11-4-7(5-12(21)22)9(6-20-11)14(17,18)19/h1-4,6H,5H2,(H,21,22)
InChIKeyYPHALJGCTSMTAY-UHFFFAOYSA-N
MW317.21 g/mol
LogP3.67
Rot. Bonds3

About 2-[2-(2,3-difluorophenyl)-5-(trifluoromethyl)-4-pyridinyl]acetic acid

2-[2-(2,3-difluorophenyl)-5-(trifluoromethyl)-4-pyridinyl]acetic acid (PubChem CID 118836266) has the molecular formula C14H8F5NO2 and a molecular weight of 317.21 g/mol. Its IUPAC name is 2-[2-(2,3-difluorophenyl)-5-(trifluoromethyl)-4-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[2-(2,3-difluorophenyl)-5-(trifluoromethyl)-4-pyridinyl]acetic acid
PubChem CID118836266
Molecular FormulaC14H8F5NO2
Molecular Weight317.21 g/mol
Exact Mass317.05
IUPAC Name2-[2-(2,3-difluorophenyl)-5-(trifluoromethyl)-4-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(-c2cccc(F)c2F)ncc1C(F)(F)F
InChIInChI=1S/C14H8F5NO2/c15-10-3-1-2-8(13(10)16)11-4-7(5-12(21)22)9(6-20-11)14(17,18)19/h1-4,6H,5H2,(H,21,22)
InChIKeyYPHALJGCTSMTAY-UHFFFAOYSA-N
XLogP3.67
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.21
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2,3-dichlorophenyl)-5-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 118852999
2-(2,3-difluorophenyl)-4-iodo-5-(trifluoromethyl)pyridine
CID 118819254
2-[2-(2,3-difluorophenyl)-5-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118830660
2-[2-(2,6-dichlorophenyl)-5-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 118841766
6-(2,3-difluorophenyl)pyridine-3-carboxylic acid
CID 24729986
2-[5-(2,3-difluorophenyl)-2-fluoro-3-pyridinyl]acetic acid
CID 133088999
2-[5-(2,3-difluorophenyl)-6-fluoro-3-pyridinyl]acetic acid
CID 133088994
2-(2,3-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118830649
4-(2,3-difluorophenyl)-5-(trifluoromethyl)pyridin-2-amine
CID 119001740
2-[3-amino-6-(2,3-difluorophenyl)-2-pyridinyl]acetic acid
CID 133086696
2-[3-(2,3-difluorophenyl)-4-fluorophenyl]acetic acid
CID 134630574
6-amino-5-(2,3-difluorophenyl)pyridine-3-carboxylic acid
CID 133086684

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-difluorophenyl)-5-(trifluoromethyl)-4-pyridinyl]acetic acid?
The IUPAC name of 2-[2-(2,3-difluorophenyl)-5-(trifluoromethyl)-4-pyridinyl]acetic acid (CID 118836266) is 2-[2-(2,3-difluorophenyl)-5-(trifluoromethyl)-4-pyridinyl]acetic acid.
What is the SMILES notation for 2-[2-(2,3-difluorophenyl)-5-(trifluoromethyl)-4-pyridinyl]acetic acid?
The canonical SMILES for 2-[2-(2,3-difluorophenyl)-5-(trifluoromethyl)-4-pyridinyl]acetic acid is O=C(O)Cc1cc(-c2cccc(F)c2F)ncc1C(F)(F)F.
What is the InChIKey of 2-[2-(2,3-difluorophenyl)-5-(trifluoromethyl)-4-pyridinyl]acetic acid?
The InChIKey is YPHALJGCTSMTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F5NO2/c15-10-3-1-2-8(13(10)16)11-4-7(5-12(21)22)9(6-20-11)14(17,18)19/h1-4,6H,5H2,(H,21,22).
What are the key properties of 2-[2-(2,3-difluorophenyl)-5-(trifluoromethyl)-4-pyridinyl]acetic acid?
2-[2-(2,3-difluorophenyl)-5-(trifluoromethyl)-4-pyridinyl]acetic acid has a molecular weight of 317.21 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-difluorophenyl)-5-(trifluoromethyl)-4-pyridinyl]acetic acid is sourced from PubChem (CID 118836266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).