(2R)-2-[4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoic acid

C15H11ClF3NO3 — CID 97136587

IUPAC(2R)-2-[4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoic acid
SMILESC[C@@H](Oc1ccc(-c2cc(C(F)(F)F)cc(Cl)n2)cc1)C(=O)O
InChIInChI=1S/C15H11ClF3NO3/c1-8(14(21)22)23-11-4-2-9(3-5-11)12-6-10(15(17,18)19)7-13(16)20-12/h2-8H,1H3,(H,21,22)/t8-/m1/s1
InChIKeyHRZHMTUSHFHEDZ-MRVPVSSYSA-N
MW345.70 g/mol
LogP4.27
Rot. Bonds4

About (2R)-2-[4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoic acid

(2R)-2-[4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoic acid (PubChem CID 97136587) has the molecular formula C15H11ClF3NO3 and a molecular weight of 345.70 g/mol. Its IUPAC name is (2R)-2-[4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoic acid
PubChem CID97136587
Molecular FormulaC15H11ClF3NO3
Molecular Weight345.70 g/mol
Exact Mass345.04
IUPAC Name(2R)-2-[4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoic acid
SMILESC[C@@H](Oc1ccc(-c2cc(C(F)(F)F)cc(Cl)n2)cc1)C(=O)O
InChIInChI=1S/C15H11ClF3NO3/c1-8(14(21)22)23-11-4-2-9(3-5-11)12-6-10(15(17,18)19)7-13(16)20-12/h2-8H,1H3,(H,21,22)/t8-/m1/s1
InChIKeyHRZHMTUSHFHEDZ-MRVPVSSYSA-N
XLogP4.27
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.70
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[3-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoic acid
CID 71628745
ethyl (2R)-2-[4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoate
CID 97136488
azane;(2R)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid
CID 162540820
2-[4-[6-(trifluoromethyl)quinoxalin-2-yl]oxyphenoxy]propanoic acid chloride
CID 86740146
2-[4-(4-iodophenyl)phenoxy]propanoic acid
CID 16773911
2-(3,4-dichlorophenoxy)propanoic acid;ethane
CID 142915874
2-[4-(4-methylphenyl)phenoxy]propanoic acid
CID 16769111
2-[4-[2-[4-(1-carboxyethoxy)phenyl]propan-2-yl]phenoxy]propanoic acid
CID 110193293
(2R)-2-[3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid
CID 67881161
azane;2-[4-[2,5-dichloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid
CID 171926213
[2-chloro-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl acetate
CID 151692476
2-(4-fluorophenoxy)propanoic acid
CID 3872140

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoic acid?
The IUPAC name of (2R)-2-[4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoic acid (CID 97136587) is (2R)-2-[4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoic acid.
What is the SMILES notation for (2R)-2-[4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoic acid?
The canonical SMILES for (2R)-2-[4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoic acid is C[C@@H](Oc1ccc(-c2cc(C(F)(F)F)cc(Cl)n2)cc1)C(=O)O.
What is the InChIKey of (2R)-2-[4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoic acid?
The InChIKey is HRZHMTUSHFHEDZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H11ClF3NO3/c1-8(14(21)22)23-11-4-2-9(3-5-11)12-6-10(15(17,18)19)7-13(16)20-12/h2-8H,1H3,(H,21,22)/t8-/m1/s1.
What are the key properties of (2R)-2-[4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoic acid?
(2R)-2-[4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoic acid has a molecular weight of 345.70 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoic acid is sourced from PubChem (CID 97136587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).