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

C9H6F5NO2 — CID 134683635

IUPAC2-[5-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ncc(C(F)F)cc1C(F)(F)F
InChIInChI=1S/C9H6F5NO2/c10-8(11)4-1-5(9(12,13)14)6(15-3-4)2-7(16)17/h1,3,8H,2H2,(H,16,17)
InChIKeyDXMCTVHIPYINDI-UHFFFAOYSA-N
MW255.14 g/mol
LogP2.67
Rot. Bonds3

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

2-[5-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetic acid (PubChem CID 134683635) has the molecular formula C9H6F5NO2 and a molecular weight of 255.14 g/mol. Its IUPAC name is 2-[5-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetic acid
PubChem CID134683635
Molecular FormulaC9H6F5NO2
Molecular Weight255.14 g/mol
Exact Mass255.03
IUPAC Name2-[5-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ncc(C(F)F)cc1C(F)(F)F
InChIInChI=1S/C9H6F5NO2/c10-8(11)4-1-5(9(12,13)14)6(15-3-4)2-7(16)17/h1,3,8H,2H2,(H,16,17)
InChIKeyDXMCTVHIPYINDI-UHFFFAOYSA-N
XLogP2.67
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.14
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-amino-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 133098319
2-[4-chloro-3-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118816812
2-[2-(difluoromethyl)-3-hydroxy-5-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 118809162
2-[6-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118848517
2-[5-(difluoromethyl)-4-iodo-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 133100098
2-[5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134628691
2-[2-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118854183
2-[3-(difluoromethyl)-6-fluoro-5-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 133103727
2-[3-(difluoromethyl)-6-iodo-4-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 133100106
2-[6-bromo-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134685323
2-[6-(chloromethyl)-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118821286
2-[4-(difluoromethyl)-5-nitro-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118835156

Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetic acid (CID 134683635) is 2-[5-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetic acid is O=C(O)Cc1ncc(C(F)F)cc1C(F)(F)F.
What is the InChIKey of 2-[5-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetic acid?
The InChIKey is DXMCTVHIPYINDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F5NO2/c10-8(11)4-1-5(9(12,13)14)6(15-3-4)2-7(16)17/h1,3,8H,2H2,(H,16,17).
What are the key properties of 2-[5-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetic acid?
2-[5-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetic acid has a molecular weight of 255.14 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetic acid is sourced from PubChem (CID 134683635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).