2-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]acetic acid

C8H5ClF3NO2 — CID 131611737

IUPAC2-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1cnc(C(F)(F)F)c(Cl)c1
InChIInChI=1S/C8H5ClF3NO2/c9-5-1-4(2-6(14)15)3-13-7(5)8(10,11)12/h1,3H,2H2,(H,14,15)
InChIKeyPSCVXFRVUGYVRK-UHFFFAOYSA-N
MW239.58 g/mol
LogP2.38
Rot. Bonds2

About 2-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]acetic acid

2-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]acetic acid (PubChem CID 131611737) has the molecular formula C8H5ClF3NO2 and a molecular weight of 239.58 g/mol. Its IUPAC name is 2-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]acetic acid
PubChem CID131611737
Molecular FormulaC8H5ClF3NO2
Molecular Weight239.58 g/mol
Exact Mass239.00
IUPAC Name2-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1cnc(C(F)(F)F)c(Cl)c1
InChIInChI=1S/C8H5ClF3NO2/c9-5-1-4(2-6(14)15)3-13-7(5)8(10,11)12/h1,3H,2H2,(H,14,15)
InChIKeyPSCVXFRVUGYVRK-UHFFFAOYSA-N
XLogP2.38
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.58
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-chloro-4-(trifluoromethyl)phenyl]acetic acid
CID 57367989
2-[6-chloro-5-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetic acid
CID 119022927
2-[5-chloro-4-(difluoromethyl)-6-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 134684141
2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 51695709
3-chloro-5-fluoro-2-(trifluoromethyl)pyridine
CID 122706973
2-[5-chloro-6-(3-fluorophenyl)-3-pyridinyl]acetic acid
CID 131869835
2-[6-amino-5-(3,4,5-trichlorophenyl)-3-pyridinyl]acetic acid
CID 119006668
2-[2-(2,4,6-trichlorophenyl)pyrimidin-5-yl]acetic acid
CID 118824949
2-[3-(2,4,5-trichlorophenyl)-2-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 134621276
2-[6-chloro-5-(difluoromethoxy)-3-pyridinyl]acetic acid
CID 119004607
2-[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 131472859
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid
CID 56832322

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]acetic acid?
The IUPAC name of 2-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]acetic acid (CID 131611737) is 2-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]acetic acid is O=C(O)Cc1cnc(C(F)(F)F)c(Cl)c1.
What is the InChIKey of 2-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]acetic acid?
The InChIKey is PSCVXFRVUGYVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3NO2/c9-5-1-4(2-6(14)15)3-13-7(5)8(10,11)12/h1,3H,2H2,(H,14,15).
What are the key properties of 2-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]acetic acid?
2-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]acetic acid has a molecular weight of 239.58 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]acetic acid is sourced from PubChem (CID 131611737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).