2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]isoindole-1,3-dione

C20H10ClF3N2O3 — CID 168516283

IUPAC2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccccc1Oc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C20H10ClF3N2O3/c21-14-9-11(20(22,23)24)10-25-17(14)29-16-8-4-3-7-15(16)26-18(27)12-5-1-2-6-13(12)19(26)28/h1-10H
InChIKeySTRDGYWCIRFZRR-UHFFFAOYSA-N
MW418.76 g/mol
LogP5.35
Rot. Bonds3

About 2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]isoindole-1,3-dione

2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]isoindole-1,3-dione (PubChem CID 168516283) has the molecular formula C20H10ClF3N2O3 and a molecular weight of 418.76 g/mol. Its IUPAC name is 2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]isoindole-1,3-dione
PubChem CID168516283
Molecular FormulaC20H10ClF3N2O3
Molecular Weight418.76 g/mol
Exact Mass418.03
IUPAC Name2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccccc1Oc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C20H10ClF3N2O3/c21-14-9-11(20(22,23)24)10-25-17(14)29-16-8-4-3-7-15(16)26-18(27)12-5-1-2-6-13(12)19(26)28/h1-10H
InChIKeySTRDGYWCIRFZRR-UHFFFAOYSA-N
XLogP5.35
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.76
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-(2-iodophenoxy)-5-(trifluoromethyl)pyridine
CID 63529961
3-chloro-2-[2-(furan-2-yl)phenoxy]-5-(trifluoromethyl)pyridine
CID 168524801
2-[2-(4-chloro-3,5-dimethylphenoxy)-5-(trifluoromethyl)phenyl]isoindole-1,3-dione
CID 168516254
3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]-3-oxopropanoic acid
CID 1487270
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]isoindole-1,3-dione
CID 8852189
2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1-(diaminomethylidene)guanidine
CID 168601907
3-chloro-2-methoxy-5-(trifluoromethyl)pyridine;molecular hydrogen
CID 161307255
2-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propyl]isoindole-1,3-dione
CID 68783163
3-chloro-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 175669606
4-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]dithiazol-5-imine
CID 2769042
2-methoxy-3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine
CID 134620611
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-difluoroaniline
CID 76851699

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]isoindole-1,3-dione (CID 168516283) is 2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1ccccc1Oc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]isoindole-1,3-dione?
The InChIKey is STRDGYWCIRFZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10ClF3N2O3/c21-14-9-11(20(22,23)24)10-25-17(14)29-16-8-4-3-7-15(16)26-18(27)12-5-1-2-6-13(12)19(26)28/h1-10H.
What are the key properties of 2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]isoindole-1,3-dione?
2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]isoindole-1,3-dione has a molecular weight of 418.76 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]isoindole-1,3-dione is sourced from PubChem (CID 168516283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).