2-[5-chloro-3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid

C14H9ClF3NO2 — CID 134629724

IUPAC2-[5-chloro-3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ncc(Cl)cc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H9ClF3NO2/c15-10-5-11(12(19-7-10)6-13(20)21)8-1-3-9(4-2-8)14(16,17)18/h1-5,7H,6H2,(H,20,21)
InChIKeyHOPPKRRFVLEKPO-UHFFFAOYSA-N
MW315.68 g/mol
LogP4.05
Rot. Bonds3

About 2-[5-chloro-3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid

2-[5-chloro-3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid (PubChem CID 134629724) has the molecular formula C14H9ClF3NO2 and a molecular weight of 315.68 g/mol. Its IUPAC name is 2-[5-chloro-3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-chloro-3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
PubChem CID134629724
Molecular FormulaC14H9ClF3NO2
Molecular Weight315.68 g/mol
Exact Mass315.03
IUPAC Name2-[5-chloro-3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ncc(Cl)cc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H9ClF3NO2/c15-10-5-11(12(19-7-10)6-13(20)21)8-1-3-9(4-2-8)14(16,17)18/h1-5,7H,6H2,(H,20,21)
InChIKeyHOPPKRRFVLEKPO-UHFFFAOYSA-N
XLogP4.05
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.68
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[5-chloro-3-[4-(trifluoromethyl)phenyl]-2-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-fluoro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
CID 133089726
2,5-dichloro-3-[4-(trifluoromethyl)phenyl]pyridine
CID 119007781
2-[5-chloro-3-(2,6-dichlorophenyl)-2-pyridinyl]acetic acid
CID 133088557
2-[4-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]acetic acid
CID 105423919
2-[3,6-bis[4-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
CID 134623890
2-[5-fluoro-2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 11630778
2-chloro-5-[4-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
CID 53223969
2-[5-chloro-2-(4-chlorophenyl)phenyl]acetic acid;2-[5-chloro-2-(4-fluorophenyl)phenyl]acetic acid;2-[5-chloro-2-(4-methylphenyl)phenyl]acetic acid;2-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 159169161
2-(3-amino-5-chloro-2-pyridinyl)acetic acid
CID 55252749
2-[4-hydroxy-3-[4-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 171369391
2-[3-chloro-5-(2,5-dichlorophenyl)-2-pyridinyl]acetic acid
CID 133088297
2-[6-fluoro-5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
CID 133089720

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-chloro-3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid (CID 134629724) is 2-[5-chloro-3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-chloro-3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-chloro-3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid is O=C(O)Cc1ncc(Cl)cc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[5-chloro-3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid?
The InChIKey is HOPPKRRFVLEKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3NO2/c15-10-5-11(12(19-7-10)6-13(20)21)8-1-3-9(4-2-8)14(16,17)18/h1-5,7H,6H2,(H,20,21).
What are the key properties of 2-[5-chloro-3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid?
2-[5-chloro-3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid has a molecular weight of 315.68 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid is sourced from PubChem (CID 134629724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).